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

C17H17NO3 — CID 2059717

IUPAC3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCCCOc1ccccc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H17NO3/c1-2-11-20-15-9-5-3-7-13(15)12-18-14-8-4-6-10-16(14)21-17(18)19/h3-10H,2,11-12H2,1H3
InChIKeyLXCSCBRELHFMMF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.43
Rot. Bonds5

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

3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2059717) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2059717
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCCCOc1ccccc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H17NO3/c1-2-11-20-15-9-5-3-7-13(15)12-18-14-8-4-6-10-16(14)21-17(18)19/h3-10H,2,11-12H2,1H3
InChIKeyLXCSCBRELHFMMF-UHFFFAOYSA-N
XLogP3.43
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 2059717) is 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one is CCCOc1ccccc1Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is LXCSCBRELHFMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-11-20-15-9-5-3-7-13(15)12-18-14-8-4-6-10-16(14)21-17(18)19/h3-10H,2,11-12H2,1H3.
What are the key properties of 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one?
3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2059717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).