[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C17H17N3O3S — CID 46366280

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H17N3O3S/c1-10-16(11(2)22-18-10)13-5-3-7-20(13)17(21)12-9-14(23-19-12)15-6-4-8-24-15/h4,6,8-9,13H,3,5,7H2,1-2H3
InChIKeyRFJDQNDJVHIOKB-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.99
Rot. Bonds3

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 46366280) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID46366280
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H17N3O3S/c1-10-16(11(2)22-18-10)13-5-3-7-20(13)17(21)12-9-14(23-19-12)15-6-4-8-24-15/h4,6,8-9,13H,3,5,7H2,1-2H3
InChIKeyRFJDQNDJVHIOKB-UHFFFAOYSA-N
XLogP3.99
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone 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

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(5-methyl-2-thienyl)piperazin-2-one
CID 60141675
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(2-thienyl)piperazin-2-one
CID 68158201

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 46366280) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is Cc1noc(C)c1C1CCCN1C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is RFJDQNDJVHIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-16(11(2)22-18-10)13-5-3-7-20(13)17(21)12-9-14(23-19-12)15-6-4-8-24-15/h4,6,8-9,13H,3,5,7H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 46366280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).