3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

C10H14N4O — CID 81176934

IUPAC3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESc1cn(CCCNCc2ccon2)cn1
InChIInChI=1S/C10H14N4O/c1(5-14-6-4-12-9-14)3-11-8-10-2-7-15-13-10/h2,4,6-7,9,11H,1,3,5,8H2
InChIKeyIJOFQLCARPHORD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.05
Rot. Bonds6

About 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (PubChem CID 81176934) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
PubChem CID81176934
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
SMILESc1cn(CCCNCc2ccon2)cn1
InChIInChI=1S/C10H14N4O/c1(5-14-6-4-12-9-14)3-11-8-10-2-7-15-13-10/h2,4,6-7,9,11H,1,3,5,8H2
InChIKeyIJOFQLCARPHORD-UHFFFAOYSA-N
XLogP1.05
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine 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

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28833138
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine (CID 81176934) is 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is c1cn(CCCNCc2ccon2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
The InChIKey is IJOFQLCARPHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1(5-14-6-4-12-9-14)3-11-8-10-2-7-15-13-10/h2,4,6-7,9,11H,1,3,5,8H2.
What are the key properties of 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine has a molecular weight of 206.25 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 81176934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).