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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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).