[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

C17H17N5O2 — CID 126441910

IUPAC[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2ccccc2-n2cnnc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-9-14(20-24-12)16-7-4-8-22(16)17(23)13-5-2-3-6-15(13)21-10-18-19-11-21/h2-3,5-6,9-11,16H,4,7-8H2,1H3/t16-/m1/s1
InChIKeyKKQBBBHHIXHKIX-MRXNPFEDSA-N
MW323.36 g/mol
LogP2.54
Rot. Bonds3

About [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 126441910) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID126441910
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2ccccc2-n2cnnc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-9-14(20-24-12)16-7-4-8-22(16)17(23)13-5-2-3-6-15(13)21-10-18-19-11-21/h2-3,5-6,9-11,16H,4,7-8H2,1H3/t16-/m1/s1
InChIKeyKKQBBBHHIXHKIX-MRXNPFEDSA-N
XLogP2.54
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
CID 135099100
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
(2,3-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 91767685
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586624
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (CID 126441910) is [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is Cc1cc([C@H]2CCCN2C(=O)c2ccccc2-n2cnnc2)no1.
What is the InChIKey of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is KKQBBBHHIXHKIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-9-14(20-24-12)16-7-4-8-22(16)17(23)13-5-2-3-6-15(13)21-10-18-19-11-21/h2-3,5-6,9-11,16H,4,7-8H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 323.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 126441910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).