3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one

C21H17N5O3 — CID 119102474

IUPAC3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2[nH]c1=O)N1CCC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H17N5O3/c27-19-16(11-14-7-4-9-22-17(14)23-19)21(28)26-10-8-15(12-26)18-24-20(29-25-18)13-5-2-1-3-6-13/h1-7,9,11,15H,8,10,12H2,(H,22,23,27)
InChIKeyNWRXYBFZWRKDNY-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.60
Rot. Bonds3

About 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one

3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one (PubChem CID 119102474) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
PubChem CID119102474
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2[nH]c1=O)N1CCC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H17N5O3/c27-19-16(11-14-7-4-9-22-17(14)23-19)21(28)26-10-8-15(12-26)18-24-20(29-25-18)13-5-2-1-3-6-13/h1-7,9,11,15H,8,10,12H2,(H,22,23,27)
InChIKeyNWRXYBFZWRKDNY-UHFFFAOYSA-N
XLogP2.60
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
[5-(4-methoxyphenyl)-1,2-dimethylpyrrol-3-yl]-[3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 91915246
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892522
[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one (CID 119102474) is 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one is O=C(c1cc2cccnc2[nH]c1=O)N1CCC(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one?
The InChIKey is NWRXYBFZWRKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-19-16(11-14-7-4-9-22-17(14)23-19)21(28)26-10-8-15(12-26)18-24-20(29-25-18)13-5-2-1-3-6-13/h1-7,9,11,15H,8,10,12H2,(H,22,23,27).
What are the key properties of 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one?
3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one has a molecular weight of 387.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 119102474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).