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

C17H18N2O2 — CID 176909803

IUPAC5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(NCCn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-3-5-14(10-12)18-8-9-19-15-11-13(2)6-7-16(15)21-17(19)20/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyURIWBKPPMGQHJT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.32
Rot. Bonds4

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

5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one (PubChem CID 176909803) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
PubChem CID176909803
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc(NCCn2c(=O)oc3ccc(C)cc32)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-3-5-14(10-12)18-8-9-19-15-11-13(2)6-7-16(15)21-17(19)20/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyURIWBKPPMGQHJT-UHFFFAOYSA-N
XLogP3.32
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448
1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
CID 62564206
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
3-(2-hydroxy-2-phenylethyl)-5-methyl-1,3-benzoxazol-2-one
CID 91356447
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 46963920
2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
CID 75478267
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332
N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
2-[2-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352
2-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 82344597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one (CID 176909803) is 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one is Cc1cccc(NCCn2c(=O)oc3ccc(C)cc32)c1.
What is the InChIKey of 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is URIWBKPPMGQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-4-3-5-14(10-12)18-8-9-19-15-11-13(2)6-7-16(15)21-17(19)20/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one?
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 176909803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).