(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C18H23N3O3 — CID 97463736

IUPAC(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCc1cc(C(=O)N2CCc3c(COCC(C)C)cncc3C2)no1
InChIInChI=1S/C18H23N3O3/c1-12(2)10-23-11-15-8-19-7-14-9-21(5-4-16(14)15)18(22)17-6-13(3)24-20-17/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyCTUHNLMCKYXRMO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.75
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 97463736) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID97463736
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCc1cc(C(=O)N2CCc3c(COCC(C)C)cncc3C2)no1
InChIInChI=1S/C18H23N3O3/c1-12(2)10-23-11-15-8-19-7-14-9-21(5-4-16(14)15)18(22)17-6-13(3)24-20-17/h6-8,12H,4-5,9-11H2,1-3H3
InChIKeyCTUHNLMCKYXRMO-UHFFFAOYSA-N
XLogP2.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 97463736) is (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is Cc1cc(C(=O)N2CCc3c(COCC(C)C)cncc3C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is CTUHNLMCKYXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)10-23-11-15-8-19-7-14-9-21(5-4-16(14)15)18(22)17-6-13(3)24-20-17/h6-8,12H,4-5,9-11H2,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 97463736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).