(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C24H21NO4 — CID 134011939

IUPAC(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc2ccc(OC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cc2c1
InChIInChI=1S/C24H21NO4/c1-16-3-5-18(6-4-16)22-15-25-23(29-22)11-12-24(26)28-21-10-8-17-7-9-20(27-2)13-19(17)14-21/h3-10,13-15H,11-12H2,1-2H3
InChIKeyUERASMAUWMBPHE-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.35
Rot. Bonds6

About (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 134011939) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID134011939
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc2ccc(OC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cc2c1
InChIInChI=1S/C24H21NO4/c1-16-3-5-18(6-4-16)22-15-25-23(29-22)11-12-24(26)28-21-10-8-17-7-9-20(27-2)13-19(17)14-21/h3-10,13-15H,11-12H2,1-2H3
InChIKeyUERASMAUWMBPHE-UHFFFAOYSA-N
XLogP5.35
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
(7-methoxynaphthalen-2-yl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46690882
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 18280129
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55906898
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 37279378
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86965315
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55498471
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 34139985
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579877

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 134011939) is (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is COc1ccc2ccc(OC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is UERASMAUWMBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-3-5-18(6-4-16)22-15-25-23(29-22)11-12-24(26)28-21-10-8-17-7-9-20(27-2)13-19(17)14-21/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 387.44 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 134011939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).