(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide

C17H19N5O2 — CID 97436775

IUPAC(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4cnoc4c3)C2)n1
InChIInChI=1S/C17H19N5O2/c1-11-7-12(2)22(20-11)15-5-6-21(10-15)17(23)19-14-4-3-13-9-18-24-16(13)8-14/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyXUAFVJJEXUXSPQ-HNNXBMFYSA-N
MW325.37 g/mol
LogP3.12
Rot. Bonds2

About (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide

(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 97436775) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID97436775
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4cnoc4c3)C2)n1
InChIInChI=1S/C17H19N5O2/c1-11-7-12(2)22(20-11)15-5-6-21(10-15)17(23)19-14-4-3-13-9-18-24-16(13)8-14/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyXUAFVJJEXUXSPQ-HNNXBMFYSA-N
XLogP3.12
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-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

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-1-carboxamide
CID 97456253
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 125161273
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
CID 72890884
(2R)-N-(1,2-benzoxazol-6-yl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 97434196
(1R,6S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 118794355
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 131893713
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-phenylthiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 97435687
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 97270049
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
1-[(3S)-3-[4-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-4-methylpiperazin-1-yl]ethanone
CID 95827559
2-(cyclopropylmethylsulfanyl)-1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 97142971
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91771971

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide (CID 97436775) is (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide is Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4cnoc4c3)C2)n1.
What is the InChIKey of (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is XUAFVJJEXUXSPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-7-12(2)22(20-11)15-5-6-21(10-15)17(23)19-14-4-3-13-9-18-24-16(13)8-14/h3-4,7-9,15H,5-6,10H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide?
(3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,2-benzoxazol-6-yl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97436775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).