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

C8H10N4O — CID 66117494

IUPAC[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
SMILESCn1cncc1-c1cc(CN)on1
InChIInChI=1S/C8H10N4O/c1-12-5-10-4-8(12)7-2-6(3-9)13-11-7/h2,4-5H,3,9H2,1H3
InChIKeyBZWOINQJJLNOQP-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.53
Rot. Bonds2

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

[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine (PubChem CID 66117494) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
PubChem CID66117494
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
SMILESCn1cncc1-c1cc(CN)on1
InChIInChI=1S/C8H10N4O/c1-12-5-10-4-8(12)7-2-6(3-9)13-11-7/h2,4-5H,3,9H2,1H3
InChIKeyBZWOINQJJLNOQP-UHFFFAOYSA-N
XLogP0.53
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine (CID 66117494) is [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine is Cn1cncc1-c1cc(CN)on1.
What is the InChIKey of [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is BZWOINQJJLNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12-5-10-4-8(12)7-2-6(3-9)13-11-7/h2,4-5H,3,9H2,1H3.
What are the key properties of [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
[3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 178.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 66117494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).