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

C9H12N4O — CID 66134078

IUPAC[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
SMILESCCn1cncc1-c1cc(CN)on1
InChIInChI=1S/C9H12N4O/c1-2-13-6-11-5-9(13)8-3-7(4-10)14-12-8/h3,5-6H,2,4,10H2,1H3
InChIKeySLDNZGDNQGEOQJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.02
Rot. Bonds3

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

[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine (PubChem CID 66134078) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
PubChem CID66134078
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine
SMILESCCn1cncc1-c1cc(CN)on1
InChIInChI=1S/C9H12N4O/c1-2-13-6-11-5-9(13)8-3-7(4-10)14-12-8/h3,5-6H,2,4,10H2,1H3
InChIKeySLDNZGDNQGEOQJ-UHFFFAOYSA-N
XLogP1.02
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine (CID 66134078) is [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine is CCn1cncc1-c1cc(CN)on1.
What is the InChIKey of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
The InChIKey is SLDNZGDNQGEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-13-6-11-5-9(13)8-3-7(4-10)14-12-8/h3,5-6H,2,4,10H2,1H3.
What are the key properties of [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine?
[3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylimidazol-4-yl)-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 66134078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).