3H-1,3-benzoxazol-2-one;ethane;methane

C10H15NO2 — CID 142031035

IUPAC3H-1,3-benzoxazol-2-one;ethane;methane
SMILESC.CC.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C7H5NO2.C2H6.CH4/c9-7-8-5-3-1-2-4-6(5)10-7;1-2;/h1-4H,(H,8,9);1-2H3;1H4
InChIKeyXUBQAGPCHIEKCU-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.78
Rot. Bonds

About 3H-1,3-benzoxazol-2-one;ethane;methane

3H-1,3-benzoxazol-2-one;ethane;methane (PubChem CID 142031035) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3H-1,3-benzoxazol-2-one;ethane;methane.

Molecular Properties

Compound Name3H-1,3-benzoxazol-2-one;ethane;methane
PubChem CID142031035
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3H-1,3-benzoxazol-2-one;ethane;methane
SMILESC.CC.O=c1[nH]c2ccccc2o1
InChIInChI=1S/C7H5NO2.C2H6.CH4/c9-7-8-5-3-1-2-4-6(5)10-7;1-2;/h1-4H,(H,8,9);1-2H3;1H4
InChIKeyXUBQAGPCHIEKCU-UHFFFAOYSA-N
XLogP2.78
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

arsoric acid;3H-1,3-benzoxazol-2-one
CID 160734484
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-methylsulfanyl-3H-1,3-benzoxazol-2-one
CID 130992219
1H-3,1-benzoxazine-2,4-dione;hydrochloride
CID 142025242
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
CID 68509499
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
ethane;5-(2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 143679953
5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 117283453
3H-1,3-benzoxazol-2-one;3-propanoyl-1,3-benzoxazol-2-one;propanoyl propanoate;sulfane
CID 160832866
7-methyl-3H-1,3-benzoxazol-2-one;propane
CID 142969733
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330

Frequently Asked Questions

What is the IUPAC name of 3H-1,3-benzoxazol-2-one;ethane;methane?
The IUPAC name of 3H-1,3-benzoxazol-2-one;ethane;methane (CID 142031035) is 3H-1,3-benzoxazol-2-one;ethane;methane.
What is the SMILES notation for 3H-1,3-benzoxazol-2-one;ethane;methane?
The canonical SMILES for 3H-1,3-benzoxazol-2-one;ethane;methane is C.CC.O=c1[nH]c2ccccc2o1.
What is the InChIKey of 3H-1,3-benzoxazol-2-one;ethane;methane?
The InChIKey is XUBQAGPCHIEKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2.C2H6.CH4/c9-7-8-5-3-1-2-4-6(5)10-7;1-2;/h1-4H,(H,8,9);1-2H3;1H4.
What are the key properties of 3H-1,3-benzoxazol-2-one;ethane;methane?
3H-1,3-benzoxazol-2-one;ethane;methane has a molecular weight of 181.23 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,3-benzoxazol-2-one;ethane;methane is sourced from PubChem (CID 142031035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).