[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H17FN6O2 — CID 45246582

IUPAC[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C17H17FN6O2/c1-11-16(21-26-20-11)15-7-4-8-24(15)17(25)14-10-23(22-19-14)9-12-5-2-3-6-13(12)18/h2-3,5-6,10,15H,4,7-9H2,1H3
InChIKeyFAVVIJFEMBGCRN-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.13
Rot. Bonds4

About [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 45246582) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID45246582
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nonc1C1CCCN1C(=O)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C17H17FN6O2/c1-11-16(21-26-20-11)15-7-4-8-24(15)17(25)14-10-23(22-19-14)9-12-5-2-3-6-13(12)18/h2-3,5-6,10,15H,4,7-9H2,1H3
InChIKeyFAVVIJFEMBGCRN-UHFFFAOYSA-N
XLogP2.13
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26392890
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 26334855
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 25275406
7-[(2-fluorophenyl)methyl]-2-[(2S)-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136735779
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 42099202
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 136578967
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72935420

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 45246582) is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nonc1C1CCCN1C(=O)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FAVVIJFEMBGCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-11-16(21-26-20-11)15-7-4-8-24(15)17(25)14-10-23(22-19-14)9-12-5-2-3-6-13(12)18/h2-3,5-6,10,15H,4,7-9H2,1H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 356.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45246582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).