1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone

C21H23N3O3 — CID 159890258

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CCC(CO)CC4)cc3n2)o1
InChIInChI=1S/C21H23N3O3/c1-13-22-11-21(27-13)18-7-6-16-10-23-17(8-19(16)24-18)9-20(26)15-4-2-14(12-25)3-5-15/h6-8,10-11,14-15,25H,2-5,9,12H2,1H3
InChIKeyNUQVXAILGVHCEP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone

1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 159890258) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID159890258
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CCC(CO)CC4)cc3n2)o1
InChIInChI=1S/C21H23N3O3/c1-13-22-11-21(27-13)18-7-6-16-10-23-17(8-19(16)24-18)9-20(26)15-4-2-14(12-25)3-5-15/h6-8,10-11,14-15,25H,2-5,9,12H2,1H3
InChIKeyNUQVXAILGVHCEP-UHFFFAOYSA-N
XLogP3.50
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone (CID 159890258) is 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)C4CCC(CO)CC4)cc3n2)o1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is NUQVXAILGVHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-22-11-21(27-13)18-7-6-16-10-23-17(8-19(16)24-18)9-20(26)15-4-2-14(12-25)3-5-15/h6-8,10-11,14-15,25H,2-5,9,12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone?
1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 365.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 159890258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).