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

C21H17NO3 — CID 2145506

IUPAC3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17NO3/c23-21-22(18-11-5-7-13-20(18)25-21)14-17-10-4-6-12-19(17)24-15-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyUUQYRKAWCRTLEW-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.22
Rot. Bonds5

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

3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2145506) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2145506
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17NO3/c23-21-22(18-11-5-7-13-20(18)25-21)14-17-10-4-6-12-19(17)24-15-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyUUQYRKAWCRTLEW-UHFFFAOYSA-N
XLogP4.22
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 2145506) is 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is UUQYRKAWCRTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-21-22(18-11-5-7-13-20(18)25-21)14-17-10-4-6-12-19(17)24-15-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 331.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylmethoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2145506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).