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

C16H17N5O3 — CID 126751015

IUPACN-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1nncc1CO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H17N5O3/c22-11-13-10-18-20-21(13)8-4-7-17-16(23)14-9-15(24-19-14)12-5-2-1-3-6-12/h1-3,5-6,9-10,22H,4,7-8,11H2,(H,17,23)
InChIKeyMQVUMGHCSRPQCG-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.25
Rot. Bonds7

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

N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 126751015) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID126751015
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1nncc1CO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H17N5O3/c22-11-13-10-18-20-21(13)8-4-7-17-16(23)14-9-15(24-19-14)12-5-2-1-3-6-12/h1-3,5-6,9-10,22H,4,7-8,11H2,(H,17,23)
InChIKeyMQVUMGHCSRPQCG-UHFFFAOYSA-N
XLogP1.25
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 126751015) is N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCn1nncc1CO)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MQVUMGHCSRPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-11-13-10-18-20-21(13)8-4-7-17-16(23)14-9-15(24-19-14)12-5-2-1-3-6-12/h1-3,5-6,9-10,22H,4,7-8,11H2,(H,17,23).
What are the key properties of N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)triazol-1-yl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126751015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).