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

C16H15NO3 — CID 851211

IUPAC3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-11-7-8-15-13(9-11)17(16(18)20-15)10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3
InChIKeyGIEWDXYFECFVMV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds3

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

3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 851211) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID851211
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-11-7-8-15-13(9-11)17(16(18)20-15)10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3
InChIKeyGIEWDXYFECFVMV-UHFFFAOYSA-N
XLogP2.96
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
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
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
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
2-Benzoxazolinone, 3-allyl-
CID 25999
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (CID 851211) is 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is COc1ccccc1Cn1c(=O)oc2ccc(C)cc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is GIEWDXYFECFVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-7-8-15-13(9-11)17(16(18)20-15)10-12-5-3-4-6-14(12)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).