N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide

C11H14N4O2 — CID 30403008

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C11H14N4O2/c1-9-14-10(7-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyDDNXRQGCVNZLOU-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.00
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 30403008) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID30403008
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C11H14N4O2/c1-9-14-10(7-17-9)11(16)13-3-2-5-15-6-4-12-8-15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyDDNXRQGCVNZLOU-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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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3825683
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
N-(3-imidazol-1-ylpropyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906929
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-imidazol-1-ylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56892018
2-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methylpyrimidine-4-carboxamide
CID 71689441

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 30403008) is N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCCn2ccnc2)co1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DDNXRQGCVNZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-14-10(7-17-9)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)-2-methyl-1,3-oxazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-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)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30403008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).