6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one

C16H17NO3 — CID 158702341

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)CCC(=O)C2
InChIInChI=1S/C16H17NO3/c1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3/h7-8H,4-6H2,1-3H3
InChIKeyHWYWKSLSGSKRIM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 158702341) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID158702341
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)CCC(=O)C2
InChIInChI=1S/C16H17NO3/c1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3/h7-8H,4-6H2,1-3H3
InChIKeyHWYWKSLSGSKRIM-UHFFFAOYSA-N
XLogP3.02
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 77230927
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CID 118224630
3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-N-pentan-3-ylaniline
CID 57465589
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CID 14896318
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483
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CID 136640897
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CID 145384653
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CID 144545948
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyanilino]methylidene]propanedioic acid
CID 70661965
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one
CID 177247561
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one (CID 158702341) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one is COc1cc2c(cc1-c1c(C)noc1C)CCC(=O)C2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is HWYWKSLSGSKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-16(10(2)20-17-9)14-7-11-4-5-13(18)6-12(11)8-15(14)19-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 271.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 158702341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).