5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide

C14H15ClN2O3 — CID 41098517

IUPAC5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O3/c1-9(8-19-2)16-14(18)12-7-13(20-17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyWNXXOKORCOTEPT-VIFPVBQESA-N
MW294.74 g/mol
LogP2.76
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 41098517) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID41098517
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O3/c1-9(8-19-2)16-14(18)12-7-13(20-17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyWNXXOKORCOTEPT-VIFPVBQESA-N
XLogP2.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120652870
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-[1-(3-acetamidophenyl)ethyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 46417652
5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 46087151
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 46087302
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 100757475
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide (CID 41098517) is 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide is COC[C@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is WNXXOKORCOTEPT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9(8-19-2)16-14(18)12-7-13(20-17-12)10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 41098517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).