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

C19H21FN6O2 — CID 91891934

IUPAC(3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H21FN6O2/c1-2-4-17-21-18(28-23-17)16-12-26(24-22-16)15-7-9-25(10-8-15)19(27)13-5-3-6-14(20)11-13/h3,5-6,11-12,15H,2,4,7-10H2,1H3
InChIKeyLXFQEHQUIKUHEC-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.90
Rot. Bonds5

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

(3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 91891934) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID91891934
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name(3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(F)c4)CC3)nn2)n1
InChIInChI=1S/C19H21FN6O2/c1-2-4-17-21-18(28-23-17)16-12-26(24-22-16)15-7-9-25(10-8-15)19(27)13-5-3-6-14(20)11-13/h3,5-6,11-12,15H,2,4,7-10H2,1H3
InChIKeyLXFQEHQUIKUHEC-UHFFFAOYSA-N
XLogP2.90
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-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

CID 71007308
CID 71007308
CID 72699855
CID 72699855
CID 72700366
CID 72700366
CID 72700462
CID 72700462
CID 91892062
CID 91892062
CID 72704197
CID 72704197
CID 117871317
CID 117871317
CID 121314080
CID 121314080
CID 121314111
CID 121314111
CID 121314133
CID 121314133
CID 91891798
CID 91891798
CID 91891845
CID 91891845

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone (CID 91891934) is (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(F)c4)CC3)nn2)n1.
What is the InChIKey of (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is LXFQEHQUIKUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-2-4-17-21-18(28-23-17)16-12-26(24-22-16)15-7-9-25(10-8-15)19(27)13-5-3-6-14(20)11-13/h3,5-6,11-12,15H,2,4,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 384.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91891934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).