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

C23H25N3O4S — CID 66867890

IUPAC2-[(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
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3
InChIInChI=1S/C23H25N3O4S/c1-14-11-18-20(13-29-14)19-12-26(31(27,28)23-15(2)25-30-16(23)3)10-9-21(19)24-22(18)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3
InChIKeyMDUKOBRJTVYEIQ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.56
Rot. Bonds3

About 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

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 (PubChem CID 66867890) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID66867890
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[(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
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3
InChIInChI=1S/C23H25N3O4S/c1-14-11-18-20(13-29-14)19-12-26(31(27,28)23-15(2)25-30-16(23)3)10-9-21(19)24-22(18)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3
InChIKeyMDUKOBRJTVYEIQ-UHFFFAOYSA-N
XLogP3.56
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1S(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3.
What is the InChIKey of 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?
The InChIKey is MDUKOBRJTVYEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-14-11-18-20(13-29-14)19-12-26(31(27,28)23-15(2)25-30-16(23)3)10-9-21(19)24-22(18)17-7-5-4-6-8-17/h4-8,14H,9-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 439.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66867890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).