3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine

C12H16N2O2 — CID 117098165

IUPAC3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
SMILESCCc1nc2cc(OCCCN)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-2-12-14-10-8-9(15-7-3-6-13)4-5-11(10)16-12/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyQVYGHBRJAAZHOP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds5

About 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine

3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine (PubChem CID 117098165) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
PubChem CID117098165
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
SMILESCCc1nc2cc(OCCCN)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-2-12-14-10-8-9(15-7-3-6-13)4-5-11(10)16-12/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyQVYGHBRJAAZHOP-UHFFFAOYSA-N
XLogP2.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-butoxy-1,3-benzoxazole
CID 89057547
2-ethyl-5-(oxiran-2-ylmethoxy)-1,3-benzoxazole
CID 45095365
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468058
2-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]-2-methylpropanoic acid
CID 117098174
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
6-(3-aminopropoxy)-N-propyl-1,3-benzoxazol-2-amine
CID 166884339
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
5-butoxy-2-[4-(5-butoxy-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 71366890
3-quinoxalin-6-yloxypropan-1-amine
CID 82189749
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine (CID 117098165) is 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine is CCc1nc2cc(OCCCN)ccc2o1.
What is the InChIKey of 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
The InChIKey is QVYGHBRJAAZHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-12-14-10-8-9(15-7-3-6-13)4-5-11(10)16-12/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine?
3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 117098165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).