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

C9H12N4O — CID 106718044

IUPAC[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1cc(Cn2cnc(CN)c2)on1
InChIInChI=1S/C9H12N4O/c1-7-2-9(14-12-7)5-13-4-8(3-10)11-6-13/h2,4,6H,3,5,10H2,1H3
InChIKeyOUAJZZSZCCRAIT-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds3

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

[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718044) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718044
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1cc(Cn2cnc(CN)c2)on1
InChIInChI=1S/C9H12N4O/c1-7-2-9(14-12-7)5-13-4-8(3-10)11-6-13/h2,4,6H,3,5,10H2,1H3
InChIKeyOUAJZZSZCCRAIT-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718043
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039
[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
CID 164654588
(1-benzylimidazol-4-yl)methanamine
CID 82281097
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718078
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine (CID 106718044) is [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine is Cc1cc(Cn2cnc(CN)c2)on1.
What is the InChIKey of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is OUAJZZSZCCRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-2-9(14-12-7)5-13-4-8(3-10)11-6-13/h2,4,6H,3,5,10H2,1H3.
What are the key properties of [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine?
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).