N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide

C13H18N4O2 — CID 91779649

IUPACN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1cnco1
InChIInChI=1S/C13H18N4O2/c1-10(2)12-15-5-7-17(12)6-3-4-16-13(18)11-8-14-9-19-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyNZIJRTKFAMTOSQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide

N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide (PubChem CID 91779649) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide
PubChem CID91779649
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1cnco1
InChIInChI=1S/C13H18N4O2/c1-10(2)12-15-5-7-17(12)6-3-4-16-13(18)11-8-14-9-19-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyNZIJRTKFAMTOSQ-UHFFFAOYSA-N
XLogP1.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.81
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-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide (CID 91779649) is N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide is CC(C)c1nccn1CCCNC(=O)c1cnco1.
What is the InChIKey of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide?
The InChIKey is NZIJRTKFAMTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(2)12-15-5-7-17(12)6-3-4-16-13(18)11-8-14-9-19-11/h5,7-10H,3-4,6H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide?
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91779649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).