ethane;6-ethyl-1,2-benzoxazol-3-amine

C13H22N2O — CID 143545769

IUPACethane;6-ethyl-1,2-benzoxazol-3-amine
SMILESCC.CC.CCc1ccc2c(N)noc2c1
InChIInChI=1S/C9H10N2O.2C2H6/c1-2-6-3-4-7-8(5-6)12-11-9(7)10;2*1-2/h3-5H,2H2,1H3,(H2,10,11);2*1-2H3
InChIKeyYQJWHUKAQWWTOE-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.02
Rot. Bonds1

About ethane;6-ethyl-1,2-benzoxazol-3-amine

ethane;6-ethyl-1,2-benzoxazol-3-amine (PubChem CID 143545769) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;6-ethyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Nameethane;6-ethyl-1,2-benzoxazol-3-amine
PubChem CID143545769
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;6-ethyl-1,2-benzoxazol-3-amine
SMILESCC.CC.CCc1ccc2c(N)noc2c1
InChIInChI=1S/C9H10N2O.2C2H6/c1-2-6-3-4-7-8(5-6)12-11-9(7)10;2*1-2/h3-5H,2H2,1H3,(H2,10,11);2*1-2H3
InChIKeyYQJWHUKAQWWTOE-UHFFFAOYSA-N
XLogP4.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
6-(3-methylpentan-3-yl)-1,2-benzoxazol-3-amine
CID 71053743
6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
CID 10221194
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
1-(6-ethyl-1,2-benzoxazol-3-yl)-1,3-diazinane-2,4-dione
CID 177157871
ethane;7-ethylisoquinolin-1-amine
CID 143545828
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
1-(3-amino-1,2-benzoxazol-6-yl)butan-1-one;1,1-dimethoxypropane
CID 153376440
6-ethyl-1-methylindazol-3-amine
CID 67124935
6-ethyl-3-methyl-1-benzofuran
CID 45122551
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
3-ethyldibenzofuran
CID 58510747

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1,2-benzoxazol-3-amine?
The IUPAC name of ethane;6-ethyl-1,2-benzoxazol-3-amine (CID 143545769) is ethane;6-ethyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for ethane;6-ethyl-1,2-benzoxazol-3-amine?
The canonical SMILES for ethane;6-ethyl-1,2-benzoxazol-3-amine is CC.CC.CCc1ccc2c(N)noc2c1.
What is the InChIKey of ethane;6-ethyl-1,2-benzoxazol-3-amine?
The InChIKey is YQJWHUKAQWWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.2C2H6/c1-2-6-3-4-7-8(5-6)12-11-9(7)10;2*1-2/h3-5H,2H2,1H3,(H2,10,11);2*1-2H3.
What are the key properties of ethane;6-ethyl-1,2-benzoxazol-3-amine?
ethane;6-ethyl-1,2-benzoxazol-3-amine has a molecular weight of 222.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 143545769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).