ethane;5-ethyl-1,2-benzoxazol-3-amine

C11H16N2O — CID 143324107

IUPACethane;5-ethyl-1,2-benzoxazol-3-amine
SMILESCC.CCc1ccc2onc(N)c2c1
InChIInChI=1S/C9H10N2O.C2H6/c1-2-6-3-4-8-7(5-6)9(10)11-12-8;1-2/h3-5H,2H2,1H3,(H2,10,11);1-2H3
InChIKeyKRAPMHVDUVNXPK-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.00
Rot. Bonds1

About ethane;5-ethyl-1,2-benzoxazol-3-amine

ethane;5-ethyl-1,2-benzoxazol-3-amine (PubChem CID 143324107) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;5-ethyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Nameethane;5-ethyl-1,2-benzoxazol-3-amine
PubChem CID143324107
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;5-ethyl-1,2-benzoxazol-3-amine
SMILESCC.CCc1ccc2onc(N)c2c1
InChIInChI=1S/C9H10N2O.C2H6/c1-2-6-3-4-8-7(5-6)9(10)11-12-8;1-2/h3-5H,2H2,1H3,(H2,10,11);1-2H3
InChIKeyKRAPMHVDUVNXPK-UHFFFAOYSA-N
XLogP3.00
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-ethyl-1,2-benzoxazol-3-amine
CID 143545769
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
3-(2-chloroethyl)-5-ethyl-1,2-benzoxazole
CID 39097321
CID 163989385
CID 163989385
ethane;7-ethylisoquinolin-1-amine
CID 143545828
2-(3-ethyl-1,2-benzoxazol-5-yl)acetic acid
CID 105457087
1-(3-amino-1,2-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820084
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
6-(3-methylpentan-3-yl)-1,2-benzoxazol-3-amine
CID 71053743
5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine
CID 151731171
5,6-ditert-butyl-1,2-benzoxazol-3-amine
CID 59066339
4-amino-1-(3-amino-1,2-benzoxazol-5-yl)butane-1,2-diol
CID 171881465

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,2-benzoxazol-3-amine?
The IUPAC name of ethane;5-ethyl-1,2-benzoxazol-3-amine (CID 143324107) is ethane;5-ethyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for ethane;5-ethyl-1,2-benzoxazol-3-amine?
The canonical SMILES for ethane;5-ethyl-1,2-benzoxazol-3-amine is CC.CCc1ccc2onc(N)c2c1.
What is the InChIKey of ethane;5-ethyl-1,2-benzoxazol-3-amine?
The InChIKey is KRAPMHVDUVNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-2-6-3-4-8-7(5-6)9(10)11-12-8;1-2/h3-5H,2H2,1H3,(H2,10,11);1-2H3.
What are the key properties of ethane;5-ethyl-1,2-benzoxazol-3-amine?
ethane;5-ethyl-1,2-benzoxazol-3-amine has a molecular weight of 192.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 143324107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).