4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

C20H21N3O4S — CID 56588678

IUPAC4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-20(14(2)27-22-13)28(24,25)23-12-4-5-18-19(23)11-10-17(21-18)15-6-8-16(26-3)9-7-15/h6-11H,4-5,12H2,1-3H3
InChIKeyRARNPYSPGMKLBM-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.50
Rot. Bonds4

About 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56588678) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID56588678
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H21N3O4S/c1-13-20(14(2)27-22-13)28(24,25)23-12-4-5-18-19(23)11-10-17(21-18)15-6-8-16(26-3)9-7-15/h6-11H,4-5,12H2,1-3H3
InChIKeyRARNPYSPGMKLBM-UHFFFAOYSA-N
XLogP3.50
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
CID 56646152
(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-(4-methoxy-2-methylphenyl)-8-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
CID 9549031
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3-methoxyphenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 172434692
CID 134788009
CID 134788009
CID 134794101
CID 134794101
3-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]-1,2,3,6-tetrahydropyridin-4-YL}-1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indole
CID 53012550
4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 56588676
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
CID 66867890
3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole
CID 175941961
1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588666
4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 56588674
(8S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
CID 9549028

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 56588678) is 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RARNPYSPGMKLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-20(14(2)27-22-13)28(24,25)23-12-4-5-18-19(23)11-10-17(21-18)15-6-8-16(26-3)9-7-15/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 399.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56588678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).