N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

C14H15FN4O2 — CID 121019592

IUPACN-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC(c2ncon2)C1
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-10(6-12)7-16-14(20)19-5-4-11(8-19)13-17-9-21-18-13/h1-3,6,9,11H,4-5,7-8H2,(H,16,20)
InChIKeyFOSOVDQEQOFGRQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.91
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 121019592) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID121019592
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCC(c2ncon2)C1
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-10(6-12)7-16-14(20)19-5-4-11(8-19)13-17-9-21-18-13/h1-3,6,9,11H,4-5,7-8H2,(H,16,20)
InChIKeyFOSOVDQEQOFGRQ-UHFFFAOYSA-N
XLogP1.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891852
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
N-[(4-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905648
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 95178874
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 72847414
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 124891483

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 121019592) is N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is O=C(NCc1cccc(F)c1)N1CCC(c2ncon2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is FOSOVDQEQOFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-12-3-1-2-10(6-12)7-16-14(20)19-5-4-11(8-19)13-17-9-21-18-13/h1-3,6,9,11H,4-5,7-8H2,(H,16,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121019592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).