3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

C16H15NO3 — CID 1090486

IUPAC3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15-14(9-11)17(16(18)20-15)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3
InChIKeyDNMAKVRRKPAAEY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 1090486) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID1090486
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1
InChIInChI=1S/C16H15NO3/c1-11-3-8-15-14(9-11)17(16(18)20-15)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3
InChIKeyDNMAKVRRKPAAEY-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (CID 1090486) is 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is COc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is DNMAKVRRKPAAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-8-15-14(9-11)17(16(18)20-15)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
3-[(4-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-[(4-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 1090486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).