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

C15H15N5O2 — CID 24738153

IUPACN-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C15H15N5O2/c21-15(18-5-2-7-20-8-6-17-11-20)13-9-14(22-19-13)12-3-1-4-16-10-12/h1,3-4,6,8-11H,2,5,7H2,(H,18,21)
InChIKeyQEKZUJXNVOGVKT-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.75
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 24738153) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID24738153
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C15H15N5O2/c21-15(18-5-2-7-20-8-6-17-11-20)13-9-14(22-19-13)12-3-1-4-16-10-12/h1,3-4,6,8-11H,2,5,7H2,(H,18,21)
InChIKeyQEKZUJXNVOGVKT-UHFFFAOYSA-N
XLogP1.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 24738153) is N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QEKZUJXNVOGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-15(18-5-2-7-20-8-6-17-11-20)13-9-14(22-19-13)12-3-1-4-16-10-12/h1,3-4,6,8-11H,2,5,7H2,(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).