1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one

C20H21FN4O2 — CID 138006578

IUPAC1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one
SMILESO=c1ccccn1CCCc1noc(NCC2(c3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H21FN4O2/c21-16-6-3-5-15(13-16)20(9-10-20)14-22-19-23-17(24-27-19)7-4-12-25-11-2-1-8-18(25)26/h1-3,5-6,8,11,13H,4,7,9-10,12,14H2,(H,22,23,24)
InChIKeyDKKOMLDWLFRSMM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.15
Rot. Bonds8

About 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one

1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one (PubChem CID 138006578) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one
PubChem CID138006578
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one
SMILESO=c1ccccn1CCCc1noc(NCC2(c3cccc(F)c3)CC2)n1
InChIInChI=1S/C20H21FN4O2/c21-16-6-3-5-15(13-16)20(9-10-20)14-22-19-23-17(24-27-19)7-4-12-25-11-2-1-8-18(25)26/h1-3,5-6,8,11,13H,4,7,9-10,12,14H2,(H,22,23,24)
InChIKeyDKKOMLDWLFRSMM-UHFFFAOYSA-N
XLogP3.15
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one 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

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
1-[3-[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one
CID 167755821
2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
CID 99809980
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976130
1-ethyl-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111638664
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111639414
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6-(2-indazol-1-ylethyl)-2-methylpyrimidin-4-amine
CID 46958532
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
1-[3-[4-[[1-(3-fluorophenyl)cyclopentyl]methylamino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 46958404

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one?
The IUPAC name of 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one (CID 138006578) is 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one?
The canonical SMILES for 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one is O=c1ccccn1CCCc1noc(NCC2(c3cccc(F)c3)CC2)n1.
What is the InChIKey of 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one?
The InChIKey is DKKOMLDWLFRSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-6-3-5-15(13-16)20(9-10-20)14-22-19-23-17(24-27-19)7-4-12-25-11-2-1-8-18(25)26/h1-3,5-6,8,11,13H,4,7,9-10,12,14H2,(H,22,23,24).
What are the key properties of 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one?
1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one has a molecular weight of 368.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[[1-(3-fluorophenyl)cyclopropyl]methylamino]-1,2,4-oxadiazol-3-yl]propyl]pyridin-2-one is sourced from PubChem (CID 138006578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).