(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C19H22ClN3O3 — CID 97253058

IUPAC(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-10(17-11(2)22-26-12(17)3)19(25)21-15-9-16(24)23(4)18(15)13-5-7-14(20)8-6-13/h5-8,10,15,18H,9H2,1-4H3,(H,21,25)/t10-,15+,18+/m0/s1
InChIKeyVJQHXLLBLVFUEN-WQFPPAFTSA-N
MW375.86 g/mol
LogP3.14
Rot. Bonds4

About (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 97253058) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID97253058
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-10(17-11(2)22-26-12(17)3)19(25)21-15-9-16(24)23(4)18(15)13-5-7-14(20)8-6-13/h5-8,10,15,18H,9H2,1-4H3,(H,21,25)/t10-,15+,18+/m0/s1
InChIKeyVJQHXLLBLVFUEN-WQFPPAFTSA-N
XLogP3.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 97253058) is (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is VJQHXLLBLVFUEN-WQFPPAFTSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-10(17-11(2)22-26-12(17)3)19(25)21-15-9-16(24)23(4)18(15)13-5-7-14(20)8-6-13/h5-8,10,15,18H,9H2,1-4H3,(H,21,25)/t10-,15+,18+/m0/s1.
What are the key properties of (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
(2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 97253058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).