3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole

C128H201BrN12O4S3 — CID 160977338

IUPAC3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole
SMILESCC(C)(C)C(O)c1ccccc1.CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1cc(Br)no1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccon1.CCc1cc(-c2ccccc2)on1.Cc1nc(-c2ccccc2)sc1CC(C)(C)C.Cc1nc(CC(C)(C)C)cs1.Cc1nc(CC(C)(C)C)cs1.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C15H19NS.C11H20N2.C11H11NO.C11H16O.2C10H15N.C9H16N2.2C9H15NS.C9H18.C8H12BrNO.C8H13NO.C8H16/c1-11-13(10-15(2,3)4)17-14(16-11)12-8-6-5-7-9-12;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;2*1-7-10-8(6-11-7)5-9(2,3)4;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-6-4-7(9)10-11-6;1-8(2,3)6-7-4-5-10-9-7;1-8(2,3)6-7-4-5-7/h5-9H,10H2,1-4H3;7H2,1-6H3;3-8H,2H2,1H3;4-8,10,12H,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;8H,4-7H2,1-3H3;4H,5H2,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeySZAUSTFSTKYBRI-UHFFFAOYSA-N
MW2148.20 g/mol
LogP37.78
Rot. Bonds16

About 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole

3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole (PubChem CID 160977338) has the molecular formula C128H201BrN12O4S3 and a molecular weight of 2148.20 g/mol. Its IUPAC name is 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole
PubChem CID160977338
Molecular FormulaC128H201BrN12O4S3
Molecular Weight2148.20 g/mol
Exact Mass2145.42
IUPAC Name3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole
SMILESCC(C)(C)C(O)c1ccccc1.CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1cc(Br)no1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccon1.CCc1cc(-c2ccccc2)on1.Cc1nc(-c2ccccc2)sc1CC(C)(C)C.Cc1nc(CC(C)(C)C)cs1.Cc1nc(CC(C)(C)C)cs1.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1cc(CC(C)(C)C)cn1
InChIInChI=1S/C15H19NS.C11H20N2.C11H11NO.C11H16O.2C10H15N.C9H16N2.2C9H15NS.C9H18.C8H12BrNO.C8H13NO.C8H16/c1-11-13(10-15(2,3)4)17-14(16-11)12-8-6-5-7-9-12;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;2*1-7-10-8(6-11-7)5-9(2,3)4;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-6-4-7(9)10-11-6;1-8(2,3)6-7-4-5-10-9-7;1-8(2,3)6-7-4-5-7/h5-9H,10H2,1-4H3;7H2,1-6H3;3-8H,2H2,1H3;4-8,10,12H,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;8H,4-7H2,1-3H3;4H,5H2,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeySZAUSTFSTKYBRI-UHFFFAOYSA-N
XLogP37.78
TPSA198.41 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.20
LogP ≤ 537.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

3-Bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1-methylpyrrole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
CID 157826258
4-Methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
CID 159606204
3-Bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)-5-methylpyrazine;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole
CID 159972224
3,3-Dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
CID 160499861

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole?
The IUPAC name of 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole (CID 160977338) is 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole is CC(C)(C)C(O)c1ccccc1.CC(C)(C)CC1CC1.CC(C)(C)CCC1CC1.CC(C)(C)Cc1cc(Br)no1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccon1.CCc1cc(-c2ccccc2)on1.Cc1nc(-c2ccccc2)sc1CC(C)(C)C.Cc1nc(CC(C)(C)C)cs1.Cc1nc(CC(C)(C)C)cs1.Cc1nn(C)c(C)c1CC(C)(C)C.Cn1cc(CC(C)(C)C)cn1.
What is the InChIKey of 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole?
The InChIKey is SZAUSTFSTKYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS.C11H20N2.C11H11NO.C11H16O.2C10H15N.C9H16N2.2C9H15NS.C9H18.C8H12BrNO.C8H13NO.C8H16/c1-11-13(10-15(2,3)4)17-14(16-11)12-8-6-5-7-9-12;1-8-10(7-11(3,4)5)9(2)13(6)12-8;1-2-10-8-11(13-12-10)9-6-4-3-5-7-9;1-11(2,3)10(12)9-7-5-4-6-8-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)5-8-6-10-11(4)7-8;2*1-7-10-8(6-11-7)5-9(2,3)4;1-9(2,3)7-6-8-4-5-8;1-8(2,3)5-6-4-7(9)10-11-6;1-8(2,3)6-7-4-5-10-9-7;1-8(2,3)6-7-4-5-7/h5-9H,10H2,1-4H3;7H2,1-6H3;3-8H,2H2,1H3;4-8,10,12H,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;6-7H,5H2,1-4H3;2*6H,5H2,1-4H3;8H,4-7H2,1-3H3;4H,5H2,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole?
3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole has a molecular weight of 2148.20 g/mol, XLogP of 37.78, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 160977338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).