3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one

C17H17NO3 — CID 52941350

IUPAC3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H17NO3/c1-11-7-15-16(8-12(11)2)21-17(19)18(15)10-13-5-4-6-14(9-13)20-3/h4-9H,10H2,1-3H3
InChIKeyYDVVBBHUXDNIKT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one

3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one (PubChem CID 52941350) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
PubChem CID52941350
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one
SMILESCOc1cccc(Cn2c(=O)oc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H17NO3/c1-11-7-15-16(8-12(11)2)21-17(19)18(15)10-13-5-4-6-14(9-13)20-3/h4-9H,10H2,1-3H3
InChIKeyYDVVBBHUXDNIKT-UHFFFAOYSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
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]-5,6-dimethyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one (CID 52941350) is 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one is COc1cccc(Cn2c(=O)oc3cc(C)c(C)cc32)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one?
The InChIKey is YDVVBBHUXDNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-15-16(8-12(11)2)21-17(19)18(15)10-13-5-4-6-14(9-13)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one?
3-[(3-methoxyphenyl)methyl]-5,6-dimethyl-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.27, 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]-5,6-dimethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 52941350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).