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

C14H13ClF2N2O2 — CID 96548771

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2O2/c1-7(9-3-4-11(16)12(17)5-9)18-13(20)6-10-8(2)19-21-14(10)15/h3-5,7H,6H2,1-2H3,(H,18,20)/t7-/m0/s1
InChIKeyHLLWSECYXSCQPM-ZETCQYMHSA-N
MW314.72 g/mol
LogP3.33
Rot. Bonds4

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

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 96548771) has the molecular formula C14H13ClF2N2O2 and a molecular weight of 314.72 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID96548771
Molecular FormulaC14H13ClF2N2O2
Molecular Weight314.72 g/mol
Exact Mass314.06
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2O2/c1-7(9-3-4-11(16)12(17)5-9)18-13(20)6-10-8(2)19-21-14(10)15/h3-5,7H,6H2,1-2H3,(H,18,20)/t7-/m0/s1
InChIKeyHLLWSECYXSCQPM-ZETCQYMHSA-N
XLogP3.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 97065846
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 56871484
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 47008758
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
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide (CID 96548771) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide is Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is HLLWSECYXSCQPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H13ClF2N2O2/c1-7(9-3-4-11(16)12(17)5-9)18-13(20)6-10-8(2)19-21-14(10)15/h3-5,7H,6H2,1-2H3,(H,18,20)/t7-/m0/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 314.72 g/mol, XLogP of 3.33, 4 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-[(1S)-1-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 96548771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).