methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate

C18H17NO3 — CID 15557244

IUPACmethyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-16(18(20)21-2)19(15-11-7-4-8-12-15)17(22-13)14-9-5-3-6-10-14/h3-12,17H,1-2H3
InChIKeyWEQBVPWJQPRZOP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.63
Rot. Bonds3

About methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate

methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate (PubChem CID 15557244) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate
PubChem CID15557244
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-13-16(18(20)21-2)19(15-11-7-4-8-12-15)17(22-13)14-9-5-3-6-10-14/h3-12,17H,1-2H3
InChIKeyWEQBVPWJQPRZOP-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
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Mls002694059
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(3Z)-3-{[4-(Dimethylamino)phenyl]methylidene}-5-phenyl-2,3-dihydrofuran-2-one
CID 5345692
5(4H)-Oxazolone, 4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-
CID 791549
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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate (CID 15557244) is methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate is COC(=O)C1=C(C)OC(c2ccccc2)N1c1ccccc1.
What is the InChIKey of methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate?
The InChIKey is WEQBVPWJQPRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-13-16(18(20)21-2)19(15-11-7-4-8-12-15)17(22-13)14-9-5-3-6-10-14/h3-12,17H,1-2H3.
What are the key properties of methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2,3-diphenyl-2H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15557244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).