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

C16H15NO4 — CID 52948720

IUPAC5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccc(OC)cc32)c1
InChIInChI=1S/C16H15NO4/c1-19-12-5-3-4-11(8-12)10-17-14-9-13(20-2)6-7-15(14)21-16(17)18/h3-9H,10H2,1-2H3
InChIKeyJYLQBTRPLQHVPA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.66
Rot. Bonds4

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

5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 52948720) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID52948720
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3ccc(OC)cc32)c1
InChIInChI=1S/C16H15NO4/c1-19-12-5-3-4-11(8-12)10-17-14-9-13(20-2)6-7-15(14)21-16(17)18/h3-9H,10H2,1-2H3
InChIKeyJYLQBTRPLQHVPA-UHFFFAOYSA-N
XLogP2.66
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
CID 52950186
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
CID 10408385
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 52948720) is 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is COc1cccc(Cn2c(=O)oc3ccc(OC)cc32)c1.
What is the InChIKey of 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is JYLQBTRPLQHVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-12-5-3-4-11(8-12)10-17-14-9-13(20-2)6-7-15(14)21-16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one?
5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 52948720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).