3,5-dimethyl-1,3-benzoxazol-2-one;methane

C10H13NO2 — CID 160664134

IUPAC3,5-dimethyl-1,3-benzoxazol-2-one;methane
SMILESC.Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C9H9NO2.CH4/c1-6-3-4-8-7(5-6)10(2)9(11)12-8;/h3-5H,1-2H3;1H4
InChIKeyRMBJASZOPWNPJI-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.08
Rot. Bonds

About 3,5-dimethyl-1,3-benzoxazol-2-one;methane

3,5-dimethyl-1,3-benzoxazol-2-one;methane (PubChem CID 160664134) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-benzoxazol-2-one;methane.

Molecular Properties

Compound Name3,5-dimethyl-1,3-benzoxazol-2-one;methane
PubChem CID160664134
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3,5-dimethyl-1,3-benzoxazol-2-one;methane
SMILESC.Cc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C9H9NO2.CH4/c1-6-3-4-8-7(5-6)10(2)9(11)12-8;/h3-5H,1-2H3;1H4
InChIKeyRMBJASZOPWNPJI-UHFFFAOYSA-N
XLogP2.08
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
5-[(1,6-dimethyl-3-oxoindazol-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 167100639
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786930
3,6-dimethyl-1,3-benzoxazol-2-one;ethane;5-methyl-3H-1,3-benzoxazol-2-one
CID 162722532
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione
CID 11066302

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;methane?
The IUPAC name of 3,5-dimethyl-1,3-benzoxazol-2-one;methane (CID 160664134) is 3,5-dimethyl-1,3-benzoxazol-2-one;methane.
What is the SMILES notation for 3,5-dimethyl-1,3-benzoxazol-2-one;methane?
The canonical SMILES for 3,5-dimethyl-1,3-benzoxazol-2-one;methane is C.Cc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1,3-benzoxazol-2-one;methane?
The InChIKey is RMBJASZOPWNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.CH4/c1-6-3-4-8-7(5-6)10(2)9(11)12-8;/h3-5H,1-2H3;1H4.
What are the key properties of 3,5-dimethyl-1,3-benzoxazol-2-one;methane?
3,5-dimethyl-1,3-benzoxazol-2-one;methane has a molecular weight of 179.22 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-benzoxazol-2-one;methane is sourced from PubChem (CID 160664134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).