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

C15H13NO3 — CID 2086421

IUPAC3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C15H13NO3/c1-18-12-6-4-5-11(9-12)10-16-13-7-2-3-8-14(13)19-15(16)17/h2-9H,10H2,1H3
InChIKeyLIJVMWZVVGCLMZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.65
Rot. Bonds3

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

3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2086421) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2086421
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C15H13NO3/c1-18-12-6-4-5-11(9-12)10-16-13-7-2-3-8-14(13)19-15(16)17/h2-9H,10H2,1H3
InChIKeyLIJVMWZVVGCLMZ-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 2086421) is 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is COc1cccc(Cn2c(=O)oc3ccccc32)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is LIJVMWZVVGCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-12-6-4-5-11(9-12)10-16-13-7-2-3-8-14(13)19-15(16)17/h2-9H,10H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2086421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).