methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate

C18H17NO3 — CID 25138489

IUPACmethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C18H17NO3/c1-12-4-3-5-15(16(12)17-19-10-11-22-17)13-6-8-14(9-7-13)18(20)21-2/h3-9H,10-11H2,1-2H3
InChIKeyDNEHDDRMYWMHHP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.23
Rot. Bonds3

About methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate

methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate (PubChem CID 25138489) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
PubChem CID25138489
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
SMILESCOC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C18H17NO3/c1-12-4-3-5-15(16(12)17-19-10-11-22-17)13-6-8-14(9-7-13)18(20)21-2/h3-9H,10-11H2,1-2H3
InChIKeyDNEHDDRMYWMHHP-UHFFFAOYSA-N
XLogP3.23
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-Methyl-biphenyl-3-carboxylic acid ethyl ester
CID 10728754
Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
CID 60287
Biphenyl-2-carboxylic acid 3-diethylamino-propyl ester
CID 128158
2-Phenethyl-benzoic acid 2-diethylamino-ethyl ester
CID 13640200
2-Phenethyl-benzoic acid 3-diethylamino-propyl ester
CID 13640202
Biphenyl-2-carboxylic acid 2-diethylamino-ethyl ester
CID 13640204
Biphenyl-2-carboxylic acid 2-diethylamino-1-methyl-ethyl ester
CID 13640210
Ethyl 3-(4-acetylphenyl)benzoate
CID 29920716
Hexyl 2-naphthoate
CID 22123818
Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)
CID 382526
(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
(1,1'-Biphenyl)-2,4',5-tricarboxylic acid, 2,4',5-trimethyl ester
CID 122944

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The IUPAC name of methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate (CID 25138489) is methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate.
What is the SMILES notation for methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The canonical SMILES for methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate is COC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1.
What is the InChIKey of methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The InChIKey is DNEHDDRMYWMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-4-3-5-15(16(12)17-19-10-11-22-17)13-6-8-14(9-7-13)18(20)21-2/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate has a molecular weight of 295.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate is sourced from PubChem (CID 25138489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).