N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide

C25H33ClN2O2 — CID 90130842

IUPACN-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2noc(C3CC(CC(C)(C)C)C3)c2C2CC2)c(Cl)c1
InChIInChI=1S/C25H33ClN2O2/c1-15-5-8-20(19(26)11-15)27-22(29)10-9-21-23(17-6-7-17)24(30-28-21)18-12-16(13-18)14-25(2,3)4/h5,8,11,16-18H,6-7,9-10,12-14H2,1-4H3,(H,27,29)
InChIKeyKCGLZEIZCJYMKH-UHFFFAOYSA-N
MW429.00 g/mol
LogP7.01
Rot. Bonds7

About N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide

N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide (PubChem CID 90130842) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide
PubChem CID90130842
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC NameN-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2noc(C3CC(CC(C)(C)C)C3)c2C2CC2)c(Cl)c1
InChIInChI=1S/C25H33ClN2O2/c1-15-5-8-20(19(26)11-15)27-22(29)10-9-21-23(17-6-7-17)24(30-28-21)18-12-16(13-18)14-25(2,3)4/h5,8,11,16-18H,6-7,9-10,12-14H2,1-4H3,(H,27,29)
InChIKeyKCGLZEIZCJYMKH-UHFFFAOYSA-N
XLogP7.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(1-adamantyl)-4-cyclopropyl-1,2-oxazol-3-yl]-N-(2-chloro-4-methylphenyl)propanamide
CID 121346268
(3S)-N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxooctanamide
CID 176984985
methyl 6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxohexanoate
CID 71114721
(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[3-(2,2-dimethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxohexanoic acid
CID 71134795
methyl (4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[3-(3-hydroxy-2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxohexanoate
CID 121346177
[3-[4-(2-chloro-4-methylphenyl)-3-oxobutyl]-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-4-yl]methyl acetate
CID 157285955
tert-butyl 5-(2-chloro-4-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoate
CID 71134796
6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[3-(2-phenylethyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxohexanoic acid
CID 144615351
(4S)-6-[2-chloro-4-(hydroxymethyl)anilino]-4-[4-cyclopropyl-5-[3-(3-hydroxy-2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxohexanoic acid
CID 121346069
(4S)-4-benzyl-3-[3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanoyl]-1,3-oxazolidin-2-one;3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanoic acid
CID 159422695
(3R)-5-(2-chloro-5-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoic acid
CID 71127467
(4S)-4-[[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-(2,4-dimethylanilino)-5-oxopentanoic acid
CID 121346104

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide (CID 90130842) is N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide is Cc1ccc(NC(=O)CCc2noc(C3CC(CC(C)(C)C)C3)c2C2CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide?
The InChIKey is KCGLZEIZCJYMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-15-5-8-20(19(26)11-15)27-22(29)10-9-21-23(17-6-7-17)24(30-28-21)18-12-16(13-18)14-25(2,3)4/h5,8,11,16-18H,6-7,9-10,12-14H2,1-4H3,(H,27,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide?
N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide has a molecular weight of 429.00 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 90130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).