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

C19H17NO3 — CID 89448484

IUPACmethyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3/c1-12-4-6-14(7-5-12)15-8-10-16(11-9-15)18-17(19(21)22-3)13(2)20-23-18/h4-11H,1-3H3
InChIKeyQXESFBXKECPKBN-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.41
Rot. Bonds3

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

methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate (PubChem CID 89448484) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate
PubChem CID89448484
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1-c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3/c1-12-4-6-14(7-5-12)15-8-10-16(11-9-15)18-17(19(21)22-3)13(2)20-23-18/h4-11H,1-3H3
InChIKeyQXESFBXKECPKBN-UHFFFAOYSA-N
XLogP4.41
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
Methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 727920
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
2-Oxo-2-phenylethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
CID 1016479
2-(5-methyl-3-phenyl-4-isoxazolyl)-4H-3,1-benzoxazin-4-one
CID 2731270
5-Ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320917
(5-Methyl-3-phenylisoxazol-4-yl)(phenyl)methanone
CID 318529

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate (CID 89448484) is methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1-c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate?
The InChIKey is QXESFBXKECPKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-4-6-14(7-5-12)15-8-10-16(11-9-15)18-17(19(21)22-3)13(2)20-23-18/h4-11H,1-3H3.
What are the key properties of methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate?
methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[4-(4-methylphenyl)phenyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 89448484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).