1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

C149H167ClN24O4S — CID 160602484

IUPAC1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1cc(-n2cnnn2)ccc1Cl.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2nnc(N)s2)cc1.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1cccc(-c2cncc(C#N)c2)c1.CC(C)c1cccc(-c2cncnc2)c1.Cc1cc2c(O)cccc2cc1C(C)C.Cc1ccc(-n2cnnc2)cc1C(C)C.Cc1nc(-c2ccc(C(C)C)cc2)no1.Cc1nc(-c2cccc(C(C)C)c2)no1
InChIInChI=1S/C15H14N2.C14H15N.C14H16O.C13H14N2.C13H15N.C12H15N3.2C12H14N2O.C12H14N2.C11H13N3S.C11H12N2O.C10H11ClN4/c1-11(2)13-4-3-5-14(7-13)15-6-12(8-16)9-17-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)12-8-11-5-4-6-14(15)13(11)7-10(12)3;1-10(2)11-4-3-5-12(6-11)13-7-14-9-15-8-13;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-9(2)12-6-11(5-4-10(12)3)15-7-13-14-8-15;1-8(2)10-4-6-11(7-5-10)12-13-9(3)15-14-12;1-8(2)10-5-4-6-11(7-10)12-13-9(3)15-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-7(2)9-5-8(3-4-10(9)11)15-6-12-13-14-15/h3-7,9-11H,1-2H3;3-11H,1-2H3;4-9,15H,1-3H3;3-10H,1-2H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3,(H,13,14);3-7H,1-2H3,(H2,12,14);3-8H,1-2H3;3-7H,1-2H3
InChIKeyRELQYKOYEVRFPD-UHFFFAOYSA-N
MW2425.66 g/mol
LogP38.58
Rot. Bonds23

About 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 160602484) has the molecular formula C149H167ClN24O4S and a molecular weight of 2425.66 g/mol. Its IUPAC name is 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID160602484
Molecular FormulaC149H167ClN24O4S
Molecular Weight2425.66 g/mol
Exact Mass2423.30
IUPAC Name1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1cc(-n2cnnn2)ccc1Cl.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2nnc(N)s2)cc1.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1cccc(-c2cncc(C#N)c2)c1.CC(C)c1cccc(-c2cncnc2)c1.Cc1cc2c(O)cccc2cc1C(C)C.Cc1ccc(-n2cnnc2)cc1C(C)C.Cc1nc(-c2ccc(C(C)C)cc2)no1.Cc1nc(-c2cccc(C(C)C)c2)no1
InChIInChI=1S/C15H14N2.C14H15N.C14H16O.C13H14N2.C13H15N.C12H15N3.2C12H14N2O.C12H14N2.C11H13N3S.C11H12N2O.C10H11ClN4/c1-11(2)13-4-3-5-14(7-13)15-6-12(8-16)9-17-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)12-8-11-5-4-6-14(15)13(11)7-10(12)3;1-10(2)11-4-3-5-12(6-11)13-7-14-9-15-8-13;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-9(2)12-6-11(5-4-10(12)3)15-7-13-14-8-15;1-8(2)10-4-6-11(7-5-10)12-13-9(3)15-14-12;1-8(2)10-5-4-6-11(7-10)12-13-9(3)15-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-7(2)9-5-8(3-4-10(9)11)15-6-12-13-14-15/h3-7,9-11H,1-2H3;3-11H,1-2H3;4-9,15H,1-3H3;3-10H,1-2H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3,(H,13,14);3-7H,1-2H3,(H2,12,14);3-8H,1-2H3;3-7H,1-2H3
InChIKeyRELQYKOYEVRFPD-UHFFFAOYSA-N
XLogP38.58
TPSA379.49 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.66
LogP ≤ 538.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

7-methyl-6-propan-2-ylnaphthalen-1-ol;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]pyridine;4-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-1H-quinolin-2-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine
CID 159914144

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine (CID 160602484) is 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine is CC(C)c1cc(-n2cnnn2)ccc1Cl.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(-c2ccncc2)cc1.CC(C)c1ccc(-c2nnc(N)s2)cc1.CC(C)c1ccc(-c2nnco2)cc1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1cccc(-c2cncc(C#N)c2)c1.CC(C)c1cccc(-c2cncnc2)c1.Cc1cc2c(O)cccc2cc1C(C)C.Cc1ccc(-n2cnnc2)cc1C(C)C.Cc1nc(-c2ccc(C(C)C)cc2)no1.Cc1nc(-c2cccc(C(C)C)c2)no1.
What is the InChIKey of 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RELQYKOYEVRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.C14H15N.C14H16O.C13H14N2.C13H15N.C12H15N3.2C12H14N2O.C12H14N2.C11H13N3S.C11H12N2O.C10H11ClN4/c1-11(2)13-4-3-5-14(7-13)15-6-12(8-16)9-17-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)12-8-11-5-4-6-14(15)13(11)7-10(12)3;1-10(2)11-4-3-5-12(6-11)13-7-14-9-15-8-13;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-9(2)12-6-11(5-4-10(12)3)15-7-13-14-8-15;1-8(2)10-4-6-11(7-5-10)12-13-9(3)15-14-12;1-8(2)10-5-4-6-11(7-10)12-13-9(3)15-14-12;1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-7(2)8-3-5-9(6-4-8)10-13-14-11(12)15-10;1-8(2)9-3-5-10(6-4-9)11-13-12-7-14-11;1-7(2)9-5-8(3-4-10(9)11)15-6-12-13-14-15/h3-7,9-11H,1-2H3;3-11H,1-2H3;4-9,15H,1-3H3;3-10H,1-2H3;3-8,10H,9H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-9H,1-2H3,(H,13,14);3-7H,1-2H3,(H2,12,14);3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 2425.66 g/mol, XLogP of 38.58, 23 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-propan-2-ylphenyl)tetrazole;7-methyl-6-propan-2-ylnaphthalen-1-ol;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-(4-methyl-3-propan-2-ylphenyl)-1,2,4-triazole;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)pyridine;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;5-(3-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 160602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).