2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol

C14H18N2O2 — CID 54999201

IUPAC2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
SMILESOCCN(c1nc2ccccc2o1)C1CCCC1
InChIInChI=1S/C14H18N2O2/c17-10-9-16(11-5-1-2-6-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11,17H,1-2,5-6,9-10H2
InChIKeyMYKAOTFNUIGYIC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds4

About 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol

2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol (PubChem CID 54999201) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
PubChem CID54999201
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
SMILESOCCN(c1nc2ccccc2o1)C1CCCC1
InChIInChI=1S/C14H18N2O2/c17-10-9-16(11-5-1-2-6-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11,17H,1-2,5-6,9-10H2
InChIKeyMYKAOTFNUIGYIC-UHFFFAOYSA-N
XLogP2.57
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,3-benzoxazol-2-amine
CID 86794329
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
CID 69368653
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
CID 106957155
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol?
The IUPAC name of 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol (CID 54999201) is 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol?
The canonical SMILES for 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol is OCCN(c1nc2ccccc2o1)C1CCCC1.
What is the InChIKey of 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol?
The InChIKey is MYKAOTFNUIGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-9-16(11-5-1-2-6-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-8,11,17H,1-2,5-6,9-10H2.
What are the key properties of 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol?
2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol is sourced from PubChem (CID 54999201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).