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

C7H8N4O — CID 96633660

IUPAC[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1cnco1
InChIInChI=1S/C7H8N4O/c8-1-6-2-9-4-11(6)7-3-10-5-12-7/h2-5H,1,8H2
InChIKeyHMSKGWGAAINOTQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.32
Rot. Bonds2

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

[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine (PubChem CID 96633660) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine
PubChem CID96633660
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine
SMILESNCc1cncn1-c1cnco1
InChIInChI=1S/C7H8N4O/c8-1-6-2-9-4-11(6)7-3-10-5-12-7/h2-5H,1,8H2
InChIKeyHMSKGWGAAINOTQ-UHFFFAOYSA-N
XLogP0.32
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796
4-[5-(aminomethyl)imidazol-1-yl]phenol
CID 84662013
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]methanamine
CID 114702865
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
(3-prop-2-enylimidazol-4-yl)methanamine
CID 114703830
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
[3-(oxetan-3-yl)imidazol-4-yl]methanamine
CID 84731290
[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine
CID 106422511

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine (CID 96633660) is [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine is NCc1cncn1-c1cnco1.
What is the InChIKey of [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine?
The InChIKey is HMSKGWGAAINOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-1-6-2-9-4-11(6)7-3-10-5-12-7/h2-5H,1,8H2.
What are the key properties of [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine?
[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine has a molecular weight of 164.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 96633660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).