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

C15H23N5O2 — CID 3585647

IUPAC2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C15H23N5O2/c1-11(2)8-12(16)15-19-13(9-22-15)14(21)18-4-3-6-20-7-5-17-10-20/h5,7,9-12H,3-4,6,8,16H2,1-2H3,(H,18,21)
InChIKeyTZOBSFHHJZQZKR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.74
Rot. Bonds8

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

2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3585647) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3585647
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C15H23N5O2/c1-11(2)8-12(16)15-19-13(9-22-15)14(21)18-4-3-6-20-7-5-17-10-20/h5,7,9-12H,3-4,6,8,16H2,1-2H3,(H,18,21)
InChIKeyTZOBSFHHJZQZKR-UHFFFAOYSA-N
XLogP1.74
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.74
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-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3825683
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
2-(1-amino-3-methylbutyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3512849
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
N-(3-imidazol-1-ylpropyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906929
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoic acid
CID 7530166

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 3585647) is 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is CC(C)CC(N)c1nc(C(=O)NCCCn2ccnc2)co1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is TZOBSFHHJZQZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(2)8-12(16)15-19-13(9-22-15)14(21)18-4-3-6-20-7-5-17-10-20/h5,7,9-12H,3-4,6,8,16H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3585647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).