N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C19H17FN2O2 — CID 59170239

IUPACN-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1F
InChIInChI=1S/C19H17FN2O2/c1-12(15-10-6-7-11-16(15)20)21-19(23)17-13(2)22-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyAWVYWEOAWFOYLF-LBPRGKRZSA-N
MW324.36 g/mol
LogP4.28
Rot. Bonds4

About N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 59170239) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID59170239
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1F
InChIInChI=1S/C19H17FN2O2/c1-12(15-10-6-7-11-16(15)20)21-19(23)17-13(2)22-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyAWVYWEOAWFOYLF-LBPRGKRZSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92767787
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 92770999
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
3-methyl-N-[(2S)-4-phenylbutan-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92768024
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
N-[(2S)-4-amino-1-(3,5-dichlorophenyl)-3-hydroxy-4-oxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 134397844

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 59170239) is N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1F.
What is the InChIKey of N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is AWVYWEOAWFOYLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12(15-10-6-7-11-16(15)20)21-19(23)17-13(2)22-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59170239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).