[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone

C19H18N4O2 — CID 95627869

IUPAC[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c24-19(18-14-23(21-20-18)15-7-3-1-4-8-15)22-12-11-17(13-22)25-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m1/s1
InChIKeyLLOYEAIDQMWXNV-QGZVFWFLSA-N
MW334.38 g/mol
LogP2.56
Rot. Bonds4

About [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone

[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone (PubChem CID 95627869) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
PubChem CID95627869
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nn1)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c24-19(18-14-23(21-20-18)15-7-3-1-4-8-15)22-12-11-17(13-22)25-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m1/s1
InChIKeyLLOYEAIDQMWXNV-QGZVFWFLSA-N
XLogP2.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
(3S)-1-(1-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113549
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
(4-chlorophenyl)-[1-(1-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 87043000
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
CID 86829243

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone (CID 95627869) is [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nn1)N1CC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The InChIKey is LLOYEAIDQMWXNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(18-14-23(21-20-18)15-7-3-1-4-8-15)22-12-11-17(13-22)25-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m1/s1.
What are the key properties of [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone?
[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 95627869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).