[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone

C19H20N4O2 — CID 95725001

IUPAC[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H20N4O2/c24-19(16-14-23(21-20-16)15-8-3-1-4-9-15)22-12-6-2-5-10-17(22)18-11-7-13-25-18/h1,3-4,7-9,11,13-14,17H,2,5-6,10,12H2/t17-/m1/s1
InChIKeyDRVBLZCHPAQXMI-QGZVFWFLSA-N
MW336.39 g/mol
LogP3.62
Rot. Bonds3

About [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone

[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone (PubChem CID 95725001) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
PubChem CID95725001
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H20N4O2/c24-19(16-14-23(21-20-16)15-8-3-1-4-9-15)22-12-6-2-5-10-17(22)18-11-7-13-25-18/h1,3-4,7-9,11,13-14,17H,2,5-6,10,12H2/t17-/m1/s1
InChIKeyDRVBLZCHPAQXMI-QGZVFWFLSA-N
XLogP3.62
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-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

(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97126729
[2-(furan-2-yl)azepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 70751382
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
(3S)-1-(1-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113549
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
[2-(furan-2-yl)azepan-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74231471
[2-(furan-2-yl)azepan-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 70768765

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone (CID 95725001) is [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nn1)N1CCCCC[C@@H]1c1ccco1.
What is the InChIKey of [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone?
The InChIKey is DRVBLZCHPAQXMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(16-14-23(21-20-16)15-8-3-1-4-9-15)22-12-6-2-5-10-17(22)18-11-7-13-25-18/h1,3-4,7-9,11,13-14,17H,2,5-6,10,12H2/t17-/m1/s1.
What are the key properties of [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone?
[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 95725001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).