5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide

C19H17ClN2O2 — CID 51699745

IUPAC5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-12(14-6-4-3-5-7-14)21-19(23)17-13(2)22-24-18(17)15-8-10-16(20)11-9-15/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyPLBZJYGHOLOXEG-LBPRGKRZSA-N
MW340.81 g/mol
LogP4.79
Rot. Bonds4

About 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide

5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 51699745) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
PubChem CID51699745
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-12(14-6-4-3-5-7-14)21-19(23)17-13(2)22-24-18(17)15-8-10-16(20)11-9-15/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyPLBZJYGHOLOXEG-LBPRGKRZSA-N
XLogP4.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92767787
N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 59170239
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
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
N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159027
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
CID 58417341
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide (CID 51699745) is 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PLBZJYGHOLOXEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12(14-6-4-3-5-7-14)21-19(23)17-13(2)22-24-18(17)15-8-10-16(20)11-9-15/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide?
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51699745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).