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

C17H18ClN3O3 — CID 95348268

IUPAC3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3/c1-11(17(23)21-7-2-3-8-21)19-16(22)15-10-14(20-24-15)12-5-4-6-13(18)9-12/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyODGDNYLWSUIWKA-NSHDSACASA-N
MW347.80 g/mol
LogP2.74
Rot. Bonds4

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

3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95348268) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID95348268
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3/c1-11(17(23)21-7-2-3-8-21)19-16(22)15-10-14(20-24-15)12-5-4-6-13(18)9-12/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyODGDNYLWSUIWKA-NSHDSACASA-N
XLogP2.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide (CID 95348268) is 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide is C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is ODGDNYLWSUIWKA-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11(17(23)21-7-2-3-8-21)19-16(22)15-10-14(20-24-15)12-5-4-6-13(18)9-12/h4-6,9-11H,2-3,7-8H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide?
3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95348268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).