(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C21H20N4O3 — CID 97269100

IUPAC(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-24(14-17-12-19(23-28-17)15-6-5-10-22-13-15)20(26)18-9-11-25(21(18)27)16-7-3-2-4-8-16/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m0/s1
InChIKeyFITVPUFNAMQPMO-SFHVURJKSA-N
MW376.42 g/mol
LogP2.75
Rot. Bonds5

About (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97269100) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID97269100
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-24(14-17-12-19(23-28-17)15-6-5-10-22-13-15)20(26)18-9-11-25(21(18)27)16-7-3-2-4-8-16/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m0/s1
InChIKeyFITVPUFNAMQPMO-SFHVURJKSA-N
XLogP2.75
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 45214416
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 42863375
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790461
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
(2S)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95895559

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 97269100) is (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FITVPUFNAMQPMO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24(14-17-12-19(23-28-17)15-6-5-10-22-13-15)20(26)18-9-11-25(21(18)27)16-7-3-2-4-8-16/h2-8,10,12-13,18H,9,11,14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97269100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).