(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H17N3O4 — CID 7371797

IUPAC(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C16H17N3O4/c1-10-6-14(18-23-10)17-16(21)11-7-15(20)19(9-11)12-4-3-5-13(8-12)22-2/h3-6,8,11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyHIUHIFQNQWLLOB-NSHDSACASA-N
MW315.33 g/mol
LogP1.98
Rot. Bonds4

About (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7371797) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7371797
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C16H17N3O4/c1-10-6-14(18-23-10)17-16(21)11-7-15(20)19(9-11)12-4-3-5-13(8-12)22-2/h3-6,8,11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyHIUHIFQNQWLLOB-NSHDSACASA-N
XLogP1.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 9396685
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
(3R)-1-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 52537693
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160102
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7220375
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
1-(3-methoxyphenyl)-5-oxo-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 90545350

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 7371797) is (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HIUHIFQNQWLLOB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-6-14(18-23-10)17-16(21)11-7-15(20)19(9-11)12-4-3-5-13(8-12)22-2/h3-6,8,11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7371797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).