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

C17H23N5O2 — CID 155882087

IUPAC[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCC1CCc1nncn1C1CC1
InChIInChI=1S/C17H23N5O2/c1-11-16(12(2)24-20-11)17(23)21-9-3-4-13(21)7-8-15-19-18-10-22(15)14-5-6-14/h10,13-14H,3-9H2,1-2H3
InChIKeyBYBPLWIKGSGKHW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.46
Rot. Bonds5

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

[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 155882087) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID155882087
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCC1CCc1nncn1C1CC1
InChIInChI=1S/C17H23N5O2/c1-11-16(12(2)24-20-11)17(23)21-9-3-4-13(21)7-8-15-19-18-10-22(15)14-5-6-14/h10,13-14H,3-9H2,1-2H3
InChIKeyBYBPLWIKGSGKHW-UHFFFAOYSA-N
XLogP2.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-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

[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 163336251
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114
2-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926021
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731798
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053347
4-cyclopropyl-3-[2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882083
4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882088

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 155882087) is [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCCC1CCc1nncn1C1CC1.
What is the InChIKey of [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is BYBPLWIKGSGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-16(12(2)24-20-11)17(23)21-9-3-4-13(21)7-8-15-19-18-10-22(15)14-5-6-14/h10,13-14H,3-9H2,1-2H3.
What are the key properties of [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 155882087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).