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

C19H18N2O3 — CID 53022295

IUPACmethyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1Nc1cccc(C)c1C
InChIInChI=1S/C19H18N2O3/c1-12-8-7-11-15(13(12)2)20-18-16(19(22)23-3)17(21-24-18)14-9-5-4-6-10-14/h4-11,20H,1-3H3
InChIKeyJAQJOASYZVWZPZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.49
Rot. Bonds4

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

methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 53022295) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID53022295
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1Nc1cccc(C)c1C
InChIInChI=1S/C19H18N2O3/c1-12-8-7-11-15(13(12)2)20-18-16(19(22)23-3)17(21-24-18)14-9-5-4-6-10-14/h4-11,20H,1-3H3
InChIKeyJAQJOASYZVWZPZ-UHFFFAOYSA-N
XLogP4.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-3-phenyl-1,2-oxazole-4-carboxylate
CID 131453089
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
CID 53022279
methyl 5-phenacyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 59608754
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
methyl 3-(3-chlorophenyl)-5-(cyclopropylamino)-1,2-oxazole-4-carboxylate
CID 53008889
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
methyl 3-(4-chlorophenyl)-5-(4-phenylbutan-2-ylamino)-1,2-oxazole-4-carboxylate
CID 22581789
methyl 5-[[(2R)-butan-2-yl]amino]-3-(3-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 94117851
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate (CID 53022295) is methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)noc1Nc1cccc(C)c1C.
What is the InChIKey of methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is JAQJOASYZVWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-7-11-15(13(12)2)20-18-16(19(22)23-3)17(21-24-18)14-9-5-4-6-10-14/h4-11,20H,1-3H3.
What are the key properties of methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate?
methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dimethylanilino)-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 53022295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).