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

C13H19N5O2 — CID 3825683

IUPAC2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C13H19N5O2/c1-2-10(14)13-17-11(8-20-13)12(19)16-4-3-6-18-7-5-15-9-18/h5,7-10H,2-4,6,14H2,1H3,(H,16,19)
InChIKeyMZDFKJGCAGQBPD-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.10
Rot. Bonds7

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

2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3825683) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3825683
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C13H19N5O2/c1-2-10(14)13-17-11(8-20-13)12(19)16-4-3-6-18-7-5-15-9-18/h5,7-10H,2-4,6,14H2,1H3,(H,16,19)
InChIKeyMZDFKJGCAGQBPD-UHFFFAOYSA-N
XLogP1.10
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-(3-imidazol-1-ylpropyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906929
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
3-imidazol-1-ylpropylurea
CID 22179621

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 3825683) is 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NCCCn2ccnc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MZDFKJGCAGQBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-10(14)13-17-11(8-20-13)12(19)16-4-3-6-18-7-5-15-9-18/h5,7-10H,2-4,6,14H2,1H3,(H,16,19).
What are the key properties of 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).