(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C18H15NO3 — CID 7901076

IUPAC(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(OC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C18H15NO3/c1-12-7-6-10-15(11-12)21-18(20)16-13(2)22-19-17(16)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDGNVPEMOFHNMIF-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.18
Rot. Bonds3

About (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 7901076) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID7901076
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(OC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C18H15NO3/c1-12-7-6-10-15(11-12)21-18(20)16-13(2)22-19-17(16)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyDGNVPEMOFHNMIF-UHFFFAOYSA-N
XLogP4.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
(4-acetylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2648489
1,3-benzodioxol-5-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 3931353
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9163498
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4828943
[2-(3-fluorophenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8676290
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 7901076) is (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1cccc(OC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is DGNVPEMOFHNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-6-10-15(11-12)21-18(20)16-13(2)22-19-17(16)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7901076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).