(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C18H19N5O2 — CID 125155904

IUPAC(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2c(NC(=O)N3CCC[C@H]3c3cc(C)no3)cccc2nn1
InChIInChI=1S/C18H19N5O2/c1-11-9-13-14(5-3-6-15(13)21-20-11)19-18(24)23-8-4-7-16(23)17-10-12(2)22-25-17/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyMPRWFHFJAKUVBQ-INIZCTEOSA-N
MW337.38 g/mol
LogP3.60
Rot. Bonds2

About (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 125155904) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID125155904
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2c(NC(=O)N3CCC[C@H]3c3cc(C)no3)cccc2nn1
InChIInChI=1S/C18H19N5O2/c1-11-9-13-14(5-3-6-15(13)21-20-11)19-18(24)23-8-4-7-16(23)17-10-12(2)22-25-17/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyMPRWFHFJAKUVBQ-INIZCTEOSA-N
XLogP3.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2S)-N-(2,5-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139306
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070315
(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
CID 97280110
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
N-(5-cyclopropyl-2-pyridinyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 136564263
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070340
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50947725
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 125155904) is (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc2c(NC(=O)N3CCC[C@H]3c3cc(C)no3)cccc2nn1.
What is the InChIKey of (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is MPRWFHFJAKUVBQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-9-13-14(5-3-6-15(13)21-20-11)19-18(24)23-8-4-7-16(23)17-10-12(2)22-25-17/h3,5-6,9-10,16H,4,7-8H2,1-2H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylcinnolin-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125155904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).