2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one

C18H17NO2 — CID 155908107

IUPAC2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one
SMILESCc1ccc(CC2N=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C18H17NO2/c1-12-3-7-14(8-4-12)11-16-18(20)21-17(19-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
InChIKeyMJMCFZQTIKUVDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one

2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one (PubChem CID 155908107) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one
PubChem CID155908107
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one
SMILESCc1ccc(CC2N=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C18H17NO2/c1-12-3-7-14(8-4-12)11-16-18(20)21-17(19-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3
InChIKeyMJMCFZQTIKUVDU-UHFFFAOYSA-N
XLogP3.22
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one (CID 155908107) is 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one is Cc1ccc(CC2N=C(c3ccc(C)cc3)OC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one?
The InChIKey is MJMCFZQTIKUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-3-7-14(8-4-12)11-16-18(20)21-17(19-16)15-9-5-13(2)6-10-15/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one?
2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one has a molecular weight of 279.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 155908107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).