3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one

C16H12N4O2S — CID 135574483

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one
SMILESCCc1nnc(-c2cc3c(-c4cccs4)nccc3[nH]c2=O)o1
InChIInChI=1S/C16H12N4O2S/c1-2-13-19-20-16(22-13)10-8-9-11(18-15(10)21)5-6-17-14(9)12-4-3-7-23-12/h3-8H,2H2,1H3,(H,18,21)
InChIKeyLFGKORPCZBVDDH-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.26
Rot. Bonds3

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one (PubChem CID 135574483) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one
PubChem CID135574483
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one
SMILESCCc1nnc(-c2cc3c(-c4cccs4)nccc3[nH]c2=O)o1
InChIInChI=1S/C16H12N4O2S/c1-2-13-19-20-16(22-13)10-8-9-11(18-15(10)21)5-6-17-14(9)12-4-3-7-23-12/h3-8H,2H2,1H3,(H,18,21)
InChIKeyLFGKORPCZBVDDH-UHFFFAOYSA-N
XLogP3.26
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
6-methoxy-3-(5-propyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
CID 139658811
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
4-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135794492
4-hydroxy-6-(2-methoxy-3-pyridinyl)-3-thiophen-2-yl-1H-quinolin-2-one
CID 162629528
2-isoquinolin-1-yl-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-oxadiazole
CID 177262076
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779508
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335290
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 744713
4-[2-oxo-4-(pyridin-2-ylmethoxy)-3-thiophen-2-yl-1H-quinolin-6-yl]benzonitrile
CID 50917960
N-ethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-amine
CID 66182398
6-bromo-4-[(1-methylpiperidin-4-yl)methoxy]-3-thiophen-2-yl-1H-quinolin-2-one
CID 66848807

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one (CID 135574483) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one is CCc1nnc(-c2cc3c(-c4cccs4)nccc3[nH]c2=O)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one?
The InChIKey is LFGKORPCZBVDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-2-13-19-20-16(22-13)10-8-9-11(18-15(10)21)5-6-17-14(9)12-4-3-7-23-12/h3-8H,2H2,1H3,(H,18,21).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one has a molecular weight of 324.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-5-thiophen-2-yl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 135574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).