N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide

C11H14N4O2 — CID 2970796

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2ccnc2)no1
InChIInChI=1S/C11H14N4O2/c1-9-7-10(14-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyJKDKIJCMTLRCOD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.00
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2970796) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2970796
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2ccnc2)no1
InChIInChI=1S/C11H14N4O2/c1-9-7-10(14-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyJKDKIJCMTLRCOD-UHFFFAOYSA-N
XLogP1.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.00
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 N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 2970796) is N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCn2ccnc2)no1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JKDKIJCMTLRCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-7-10(14-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2970796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).