7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C13H13N3O3 — CID 156864966

IUPAC7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCc1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)on1
InChIInChI=1S/C13H13N3O3/c1-8-4-11(19-15-8)13(18)16-3-2-9-5-12(17)14-6-10(9)7-16/h4-6H,2-3,7H2,1H3,(H,14,17)
InChIKeyIHUOUSPKEMQEQY-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.87
Rot. Bonds1

About 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 156864966) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID156864966
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCc1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)on1
InChIInChI=1S/C13H13N3O3/c1-8-4-11(19-15-8)13(18)16-3-2-9-5-12(17)14-6-10(9)7-16/h4-6H,2-3,7H2,1H3,(H,14,17)
InChIKeyIHUOUSPKEMQEQY-UHFFFAOYSA-N
XLogP0.87
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one with MolForge

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Related Compounds

6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063
1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 70715796
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218050
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176500063
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(3-methyl-1,2-oxazol-5-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504606
7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 174213118

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 156864966) is 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is Cc1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)on1.
What is the InChIKey of 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is IHUOUSPKEMQEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-4-11(19-15-8)13(18)16-3-2-9-5-12(17)14-6-10(9)7-16/h4-6H,2-3,7H2,1H3,(H,14,17).
What are the key properties of 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 259.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 156864966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).