5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

C15H15N5O2 — CID 70714375

IUPAC5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H15N5O2/c21-15(17-7-4-8-20-11-16-10-18-20)13-9-14(22-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,21)
InChIKeyFCQZMUGRUHZETQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.75
Rot. Bonds6

About 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 70714375) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID70714375
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C15H15N5O2/c21-15(17-7-4-8-20-11-16-10-18-20)13-9-14(22-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,21)
InChIKeyFCQZMUGRUHZETQ-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 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 70714375) is 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCn1cncn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FCQZMUGRUHZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-15(17-7-4-8-20-11-16-10-18-20)13-9-14(22-19-13)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,21).
What are the key properties of 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-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 5-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70714375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).