5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one

C16H15NO2 — CID 2811791

IUPAC5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(Cn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C16H15NO2/c1-11-4-3-5-13(8-11)10-17-14-9-12(2)6-7-15(14)19-16(17)18/h3-9H,10H2,1-2H3
InChIKeyOPGCIGFOKIRDGZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.26
Rot. Bonds2

About 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one

5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2811791) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2811791
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(Cn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C16H15NO2/c1-11-4-3-5-13(8-11)10-17-14-9-12(2)6-7-15(14)19-16(17)18/h3-9H,10H2,1-2H3
InChIKeyOPGCIGFOKIRDGZ-UHFFFAOYSA-N
XLogP3.26
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-fluoro-5-methyl-1,3-benzoxazol-2-one
CID 42598358
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one (CID 2811791) is 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one is Cc1cccc(Cn2c(=O)oc3ccc(C)cc32)c1.
What is the InChIKey of 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is OPGCIGFOKIRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-4-3-5-13(8-11)10-17-14-9-12(2)6-7-15(14)19-16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one?
5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-methylphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).