2-(1,3-benzoxazol-5-yl)-N-ethylethanamine

C11H14N2O — CID 82490944

IUPAC2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2ocnc2c1
InChIInChI=1S/C11H14N2O/c1-2-12-6-5-9-3-4-11-10(7-9)13-8-14-11/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyHMZBVRYEJXIXEO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.98
Rot. Bonds4

About 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine

2-(1,3-benzoxazol-5-yl)-N-ethylethanamine (PubChem CID 82490944) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
PubChem CID82490944
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1,3-benzoxazol-5-yl)-N-ethylethanamine
SMILESCCNCCc1ccc2ocnc2c1
InChIInChI=1S/C11H14N2O/c1-2-12-6-5-9-3-4-11-10(7-9)13-8-14-11/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyHMZBVRYEJXIXEO-UHFFFAOYSA-N
XLogP1.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzoxazol-5-yl)-N-methylpropan-1-amine
CID 82490943
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
5-hexyl-1,3-benzoxazole
CID 90964458
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206591
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255151
N'-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethylpropane-1,3-diamine
CID 115251673
N-ethyl-2-quinolin-7-ylethanamine
CID 81224928
2-amino-3-[2-(1,3-benzoxazol-6-yl)ethylamino]propan-1-ol
CID 115120857
N-[2-(1,3-benzoxazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110707436
4-(1,3-benzoxazol-5-yl)butanoic acid
CID 82492001

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine (CID 82490944) is 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine is CCNCCc1ccc2ocnc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine?
The InChIKey is HMZBVRYEJXIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-12-6-5-9-3-4-11-10(7-9)13-8-14-11/h3-4,7-8,12H,2,5-6H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine?
2-(1,3-benzoxazol-5-yl)-N-ethylethanamine has a molecular weight of 190.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-5-yl)-N-ethylethanamine is sourced from PubChem (CID 82490944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).