[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol

C10H12N2O2 — CID 83949449

IUPAC[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
SMILESNCCc1nc2cc(CO)ccc2o1
InChIInChI=1S/C10H12N2O2/c11-4-3-10-12-8-5-7(6-13)1-2-9(8)14-10/h1-2,5,13H,3-4,6,11H2
InChIKeyHZDNNQOCRXMTCB-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.82
Rot. Bonds3

About [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol

[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol (PubChem CID 83949449) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
PubChem CID83949449
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
SMILESNCCc1nc2cc(CO)ccc2o1
InChIInChI=1S/C10H12N2O2/c11-4-3-10-12-8-5-7(6-13)1-2-9(8)14-10/h1-2,5,13H,3-4,6,11H2
InChIKeyHZDNNQOCRXMTCB-UHFFFAOYSA-N
XLogP0.82
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
3-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-1-phenylpropan-1-one
CID 82357898
2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
CID 83949525
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
(2-propyl-1,3-benzoxazol-6-yl)methanol
CID 82357761
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357676
2-[2-[6-(2-aminoethyl)-1,3-benzoxazol-2-yl]ethyl]guanidine
CID 71815806
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol (CID 83949449) is [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol is NCCc1nc2cc(CO)ccc2o1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol?
The InChIKey is HZDNNQOCRXMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-4-3-10-12-8-5-7(6-13)1-2-9(8)14-10/h1-2,5,13H,3-4,6,11H2.
What are the key properties of [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol?
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 83949449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).