2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine

C10H13N3O — CID 83949471

IUPAC2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
SMILESNCCc1nc2cc(CN)ccc2o1
InChIInChI=1S/C10H13N3O/c11-4-3-10-13-8-5-7(6-12)1-2-9(8)14-10/h1-2,5H,3-4,6,11-12H2
InChIKeyYGSRRVKWZNNXBE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.79
Rot. Bonds3

About 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine

2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine (PubChem CID 83949471) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
PubChem CID83949471
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
SMILESNCCc1nc2cc(CN)ccc2o1
InChIInChI=1S/C10H13N3O/c11-4-3-10-13-8-5-7(6-12)1-2-9(8)14-10/h1-2,5H,3-4,6,11-12H2
InChIKeyYGSRRVKWZNNXBE-UHFFFAOYSA-N
XLogP0.79
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
CID 83949465
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357676
2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
CID 83949525
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487
N-[[3-(aminomethyl)phenyl]methyl]-3-(5-chloro-1,3-benzoxazol-2-yl)propanamide
CID 102328619
[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
CID 59588802
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
2-[2-[6-(2-aminoethyl)-1,3-benzoxazol-2-yl]ethyl]guanidine
CID 71815806
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine (CID 83949471) is 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine is NCCc1nc2cc(CN)ccc2o1.
What is the InChIKey of 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine?
The InChIKey is YGSRRVKWZNNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-4-3-10-13-8-5-7(6-12)1-2-9(8)14-10/h1-2,5H,3-4,6,11-12H2.
What are the key properties of 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine?
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine has a molecular weight of 191.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine is sourced from PubChem (CID 83949471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).