5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

C17H17NO3 — CID 851217

IUPAC5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(OCCn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-14(10-12)20-9-8-18-15-11-13(2)6-7-16(15)21-17(18)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyGOOOBHXQTUNPIF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds4

About 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (PubChem CID 851217) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
PubChem CID851217
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(OCCn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C17H17NO3/c1-12-4-3-5-14(10-12)20-9-8-18-15-11-13(2)6-7-16(15)21-17(18)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyGOOOBHXQTUNPIF-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (CID 851217) is 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is Cc1cccc(OCCn2c(=O)oc3ccc(C)cc32)c1.
What is the InChIKey of 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is GOOOBHXQTUNPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-4-3-5-14(10-12)20-9-8-18-15-11-13(2)6-7-16(15)21-17(18)19/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 851217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).