4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine

C13H20N4O — CID 162665309

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine
SMILESCCCCCn1cc(-c2c(C)noc2C)nc1N
InChIInChI=1S/C13H20N4O/c1-4-5-6-7-17-8-11(15-13(17)14)12-9(2)16-18-10(12)3/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyZHNPQZWSLWTUFS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.93
Rot. Bonds5

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine

4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine (PubChem CID 162665309) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine
PubChem CID162665309
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine
SMILESCCCCCn1cc(-c2c(C)noc2C)nc1N
InChIInChI=1S/C13H20N4O/c1-4-5-6-7-17-8-11(15-13(17)14)12-9(2)16-18-10(12)3/h8H,4-7H2,1-3H3,(H2,14,15)
InChIKeyZHNPQZWSLWTUFS-UHFFFAOYSA-N
XLogP2.93
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyrimidin-4-amine
CID 3235572
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3232933
3,5-Dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,2-oxazole
CID 3232988
4-(4-Imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
CID 3233854
3-[[3-(Imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47048393
4-[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110095334
4-[6-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110129298
3,5-Dimethyl-4-[6-[1-[(1-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 110129447
3,5-Dimethyl-4-[6-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 118740409
4-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
CID 162665308
3,5-Dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
CID 138115339
3-(1-benzyl-1H-imidazol-2-yl)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]piperidine
CID 70739906

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine (CID 162665309) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine is CCCCCn1cc(-c2c(C)noc2C)nc1N.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine?
The InChIKey is ZHNPQZWSLWTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-5-6-7-17-8-11(15-13(17)14)12-9(2)16-18-10(12)3/h8H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine is sourced from PubChem (CID 162665309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).