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

C9H11N3O — CID 83949465

IUPAC[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CN)nc2c1
InChIInChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)12-9(5-11)13-8/h1-3H,4-5,10-11H2
InChIKeyPTEPHIZUBSLJKT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.75
Rot. Bonds2

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

[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine (PubChem CID 83949465) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
PubChem CID83949465
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(CN)nc2c1
InChIInChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)12-9(5-11)13-8/h1-3H,4-5,10-11H2
InChIKeyPTEPHIZUBSLJKT-UHFFFAOYSA-N
XLogP0.75
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.75
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
[2-(methoxymethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357690
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357676
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
[6-(bromomethyl)-1,3-benzoxazol-2-yl]methanamine
CID 118825667
2-(aminomethyl)-1,3-benzoxazole-5-sulfonyl chloride
CID 118804083
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
CID 59588802
2-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-yl]ethanamine
CID 83949525
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271
5-decyl-2-propyl-1,3-benzoxazole
CID 170290487

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine (CID 83949465) is [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine is NCc1ccc2oc(CN)nc2c1.
What is the InChIKey of [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is PTEPHIZUBSLJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)12-9(5-11)13-8/h1-3H,4-5,10-11H2.
What are the key properties of [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine?
[2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 83949465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).