1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

C110H196N16O2S2 — CID 162258320

IUPAC1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/3C13H24N2.C13H23NO.C13H23NS.3C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyZYWWXFRUHASAHM-UHFFFAOYSA-N
MW1839.02 g/mol
LogP32.80
Rot. Bonds40

About 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 162258320) has the molecular formula C110H196N16O2S2 and a molecular weight of 1839.02 g/mol. Its IUPAC name is 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID162258320
Molecular FormulaC110H196N16O2S2
Molecular Weight1839.02 g/mol
Exact Mass1837.52
IUPAC Name1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/3C13H24N2.C13H23NO.C13H23NS.3C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyZYWWXFRUHASAHM-UHFFFAOYSA-N
XLogP32.80
TPSA184.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001839.02
LogP ≤ 532.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

2,5-Dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158116052
2,5-Dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 159733010
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161155018
CID 161450057
CID 161450057
5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane
CID 157081227
methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157493914
2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157746771
2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 157864099
5-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethynylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;1-tert-butyl-2H-pyrrol-5-one
CID 157973166
5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole
CID 158179300
4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
CID 158383278
2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 158392967

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 162258320) is 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is ZYWWXFRUHASAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H24N2.C13H23NO.C13H23NS.3C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1839.02 g/mol, XLogP of 32.80, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 162258320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).