2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide

C17H19ClN2O2 — CID 96527073

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1[C@@H](NC(=O)Cc1c(C)noc1Cl)C1CC1
InChIInChI=1S/C17H19ClN2O2/c1-10-5-3-4-6-13(10)16(12-7-8-12)19-15(21)9-14-11(2)20-22-17(14)18/h3-6,12,16H,7-9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFEJCAEPGWGBVLY-INIZCTEOSA-N
MW318.80 g/mol
LogP3.75
Rot. Bonds5

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide (PubChem CID 96527073) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide
PubChem CID96527073
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1[C@@H](NC(=O)Cc1c(C)noc1Cl)C1CC1
InChIInChI=1S/C17H19ClN2O2/c1-10-5-3-4-6-13(10)16(12-7-8-12)19-15(21)9-14-11(2)20-22-17(14)18/h3-6,12,16H,7-9H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFEJCAEPGWGBVLY-INIZCTEOSA-N
XLogP3.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-[(R)-cyclopropyl-(2-methylphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 97072647
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(2-methylphenoxy)propyl]acetamide
CID 56826665
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625932
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
CID 119323096
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
CID 96548771
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 52512623

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide (CID 96527073) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide is Cc1ccccc1[C@@H](NC(=O)Cc1c(C)noc1Cl)C1CC1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide?
The InChIKey is FEJCAEPGWGBVLY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-10-5-3-4-6-13(10)16(12-7-8-12)19-15(21)9-14-11(2)20-22-17(14)18/h3-6,12,16H,7-9H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide has a molecular weight of 318.80 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 96527073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).