5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one

C17H13N3O2 — CID 132576054

IUPAC5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
SMILESCc1nc2c(=O)n(Cc3ccccc3)c3ncccc3c2o1
InChIInChI=1S/C17H13N3O2/c1-11-19-14-15(22-11)13-8-5-9-18-16(13)20(17(14)21)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyJMHCLCXGIUOVRW-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.89
Rot. Bonds2

About 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one

5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 132576054) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
PubChem CID132576054
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
SMILESCc1nc2c(=O)n(Cc3ccccc3)c3ncccc3c2o1
InChIInChI=1S/C17H13N3O2/c1-11-19-14-15(22-11)13-8-5-9-18-16(13)20(17(14)21)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyJMHCLCXGIUOVRW-UHFFFAOYSA-N
XLogP2.89
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576053
1-benzyl-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 15073525
5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 102193245
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53030670
1,3-dibenzylpteridine-2,4-dione
CID 13328593
4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 50742664
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20879680

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one (CID 132576054) is 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one is Cc1nc2c(=O)n(Cc3ccccc3)c3ncccc3c2o1.
What is the InChIKey of 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is JMHCLCXGIUOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-19-14-15(22-11)13-8-5-9-18-16(13)20(17(14)21)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 291.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 132576054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).