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

C17H16FN5O2 — CID 95289431

IUPAC[1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)on1
InChIInChI=1S/C17H16FN5O2/c1-11-9-16(25-20-11)15-3-2-8-22(15)17(24)14-10-23(21-19-14)13-6-4-12(18)5-7-13/h4-7,9-10,15H,2-3,8H2,1H3/t15-/m0/s1
InChIKeyRHRWQGIUIGTDGC-HNNXBMFYSA-N
MW341.35 g/mol
LogP2.68
Rot. Bonds3

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

[1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95289431) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95289431
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name[1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)on1
InChIInChI=1S/C17H16FN5O2/c1-11-9-16(25-20-11)15-3-2-8-22(15)17(24)14-10-23(21-19-14)13-6-4-12(18)5-7-13/h4-7,9-10,15H,2-3,8H2,1H3/t15-/m0/s1
InChIKeyRHRWQGIUIGTDGC-HNNXBMFYSA-N
XLogP2.68
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(Cyclohexen-1-yl)triazol-1-yl]propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
CID 53382930
2-[1-(4-Cyclopropyltriazol-1-yl)propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
CID 53382935
1-[(3-Propan-2-yl-1,2-oxazol-5-yl)methyl]-2-[1-(4-propyltriazol-1-yl)propan-2-yl]indazol-3-one
CID 53382927
2-[1-[4-(2-Phenylethyl)triazol-1-yl]propan-2-yl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indazol-3-one
CID 53382932
4-{[2-(3,5-dimethyl-4-isoxazolyl)-1-pyrrolidinyl]methyl}-1-phenyl-1H-1,2,3-triazole
CID 56891253
3-(3,5-dimethylisoxazol-4-yl)-1-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)pyrrolidin-1-yl)propan-1-one
CID 86264932
1-(2-fluorobenzyl)-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 25460096
1-(2,6-difluorobenzyl)-N-[(3-isopropyl-5-isoxazolyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 42215253
1-(3-Fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one
CID 75463297
1-[(4S)-4-methyl-3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 160573357
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methyltriazole-4-carboxamide
CID 172193466
1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-3-carboxamide
CID 38303683

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 95289431) is [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc([C@@H]2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)on1.
What is the InChIKey of [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RHRWQGIUIGTDGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-9-16(25-20-11)15-3-2-8-22(15)17(24)14-10-23(21-19-14)13-6-4-12(18)5-7-13/h4-7,9-10,15H,2-3,8H2,1H3/t15-/m0/s1.
What are the key properties of [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)triazol-4-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95289431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).