4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C17H23N3O3S — CID 56588674

IUPAC4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O3S/c1-5-13-10-16-15(18-14(13)6-2)8-7-9-20(16)24(21,22)17-11(3)19-23-12(17)4/h10H,5-9H2,1-4H3
InChIKeyDQPCEIJHNCIUKK-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.95
Rot. Bonds4

About 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56588674) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID56588674
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O3S/c1-5-13-10-16-15(18-14(13)6-2)8-7-9-20(16)24(21,22)17-11(3)19-23-12(17)4/h10H,5-9H2,1-4H3
InChIKeyDQPCEIJHNCIUKK-UHFFFAOYSA-N
XLogP2.95
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
3,5-Dimethyl-4-{[3-methyl-4-(4-methylphenyl)piperazino]sulfonyl}isoxazole
CID 4597363
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 2738476
3,5-Dimethyl-4-{[4-(4-pyridyl)piperidino]sulfonyl}isoxazole
CID 22585601
CID 134799899
CID 134799899
N-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 38830132
4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 56588676
3,4-dihydro-2H-quinolin-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 26687509
3,5-Dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 3770077
3,5-Dimethyl-4-[[4-[2-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 33374420
4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 38894100
4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 39840882

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 56588674) is 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DQPCEIJHNCIUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-13-10-16-15(18-14(13)6-2)8-7-9-20(16)24(21,22)17-11(3)19-23-12(17)4/h10H,5-9H2,1-4H3.
What are the key properties of 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 349.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-diethyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56588674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).