[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine

C6H11N3O — CID 68802787

IUPAC[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(CN)oc1CN
InChIInChI=1S/C6H11N3O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,7-8H2,1H3
InChIKeyUDWXAVBGZGLUBB-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.10
Rot. Bonds2

About [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine

[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine (PubChem CID 68802787) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
PubChem CID68802787
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(CN)oc1CN
InChIInChI=1S/C6H11N3O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,7-8H2,1H3
InChIKeyUDWXAVBGZGLUBB-UHFFFAOYSA-N
XLogP-0.10
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
CID 119031976
[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride
CID 68801817
(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
CID 130116175
5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 115012127
(4-methyl-2-pyridin-4-yl-1,3-oxazol-5-yl)methanamine
CID 82504549
(4-tert-butyl-5-ethyl-1,3-oxazol-2-yl)methanamine
CID 105440199
(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
CID 82399380
[4-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-5-yl]methanamine
CID 130856930
(4-tert-butyl-5-methyl-1,3-oxazol-2-yl)methanamine
CID 105433844
2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
CID 82417474

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine (CID 68802787) is [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine is Cc1nc(CN)oc1CN.
What is the InChIKey of [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine?
The InChIKey is UDWXAVBGZGLUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,7-8H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine?
[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine has a molecular weight of 141.17 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 68802787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).