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

C13H13ClN2O2 — CID 850733

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-8(10-3-5-11(14)6-4-10)16-13(17)12-7-15-18-9(12)2/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyOJYMBPIQYTZPRD-QMMMGPOBSA-N
MW264.71 g/mol
LogP3.13
Rot. Bonds3

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

N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 850733) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID850733
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-8(10-3-5-11(14)6-4-10)16-13(17)12-7-15-18-9(12)2/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyOJYMBPIQYTZPRD-QMMMGPOBSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237023
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 850733) is N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OJYMBPIQYTZPRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(10-3-5-11(14)6-4-10)16-13(17)12-7-15-18-9(12)2/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 850733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).