5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one

C10H12N2O2 — CID 117043635

IUPAC5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCN(C)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H12N2O2/c1-11(2)7-4-5-9-8(6-7)12(3)10(13)14-9/h4-6H,1-3H3
InChIKeyOALFNOATBOBMRW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.20
Rot. Bonds1

About 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one

5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 117043635) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
PubChem CID117043635
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
SMILESCN(C)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C10H12N2O2/c1-11(2)7-4-5-9-8(6-7)12(3)10(13)14-9/h4-6H,1-3H3
InChIKeyOALFNOATBOBMRW-UHFFFAOYSA-N
XLogP1.20
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115161945
5-[1-aminopropan-2-yl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 117039935
5-[(1-amino-2-methylpropan-2-yl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115131826
5-[(2-amino-3-hydroxypropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115120469
5-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 115199956
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
2-methyl-3-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanoic acid
CID 115219367
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-[[bromomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115262110
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one (CID 117043635) is 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one is CN(C)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is OALFNOATBOBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11(2)7-4-5-9-8(6-7)12(3)10(13)14-9/h4-6H,1-3H3.
What are the key properties of 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one?
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 117043635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).