[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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Related Compounds

4-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
CID 162665308
5-[(2-Nitroimidazol-1-yl)methyl]-3-pyridin-3-yl-1,2-oxazole
CID 177651602
5-[(2-Nitroimidazol-1-yl)methyl]-3-pyridin-2-yl-1,2-oxazole
CID 177651864
3,5-dimethyl-4-(1-methyl-1H-imidazol-4-yl)isoxazole
CID 60046602
N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 53528250
1-(3-ethylisoxazol-5-yl)-N-[4-(1H-imidazol-1-yl)benzyl]-N-methylmethanamine
CID 56713817
N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-imidazol-2-yl)ethanamine
CID 132416955
5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole
CID 139077569
1-Ethyl-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]guanidine
CID 109640523
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanamine
CID 126838000
3-(1H-imidazol-5-yl)-5-(10,10,10-trifluorodecyl)-1,2-oxazole
CID 151640679
4-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine
CID 162665309

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).