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

C13H21ClN4O — CID 162665308

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2c(C)noc2C)nc1N.Cl
InChIInChI=1S/C13H20N4O.ClH/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);1H
InChIKeyXDRILNZELRIXFI-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.35
Rot. Bonds5

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 162665308) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID162665308
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2c(C)noc2C)nc1N.Cl
InChIInChI=1S/C13H20N4O.ClH/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);1H
InChIKeyXDRILNZELRIXFI-UHFFFAOYSA-N
XLogP3.35
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride (CID 162665308) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2c(C)noc2C)nc1N.Cl.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is XDRILNZELRIXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/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);1H.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 3.35, 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;hydrochloride is sourced from PubChem (CID 162665308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).