3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one

C14H13N5O2 — CID 167895146

IUPAC3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2CCN(c3nccc4cccnc34)C2)no1
InChIInChI=1S/C14H13N5O2/c20-14-17-12(18-21-14)10-4-7-19(8-10)13-11-9(3-6-16-13)2-1-5-15-11/h1-3,5-6,10H,4,7-8H2,(H,17,18,20)
InChIKeyNVHQRYTYOBSABG-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.30
Rot. Bonds2

About 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one

3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 167895146) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID167895146
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2CCN(c3nccc4cccnc34)C2)no1
InChIInChI=1S/C14H13N5O2/c20-14-17-12(18-21-14)10-4-7-19(8-10)13-11-9(3-6-16-13)2-1-5-15-11/h1-3,5-6,10H,4,7-8H2,(H,17,18,20)
InChIKeyNVHQRYTYOBSABG-UHFFFAOYSA-N
XLogP1.30
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683370
8-(2-ethenylpyrrolidin-1-yl)-1,7-naphthyridine
CID 167966111
3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one
CID 167859867
6-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-7H-1,7-naphthyridin-8-one
CID 92572249
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone
CID 136586518
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
3-[1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184009
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one (CID 167895146) is 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(C2CCN(c3nccc4cccnc34)C2)no1.
What is the InChIKey of 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is NVHQRYTYOBSABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14-17-12(18-21-14)10-4-7-19(8-10)13-11-9(3-6-16-13)2-1-5-15-11/h1-3,5-6,10H,4,7-8H2,(H,17,18,20).
What are the key properties of 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one?
3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 283.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,7-naphthyridin-8-yl)pyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167895146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).