N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide

C13H11N3O3 — CID 90578764

IUPACN-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1cccnc1)c1ccno1
InChIInChI=1S/C13H11N3O3/c17-13(12-5-8-16-19-12)15-7-1-2-9-18-11-4-3-6-14-10-11/h3-6,8,10H,7,9H2,(H,15,17)
InChIKeyRPTNXEFIGOGILZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.88
Rot. Bonds4

About N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide

N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide (PubChem CID 90578764) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide
PubChem CID90578764
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC#CCOc1cccnc1)c1ccno1
InChIInChI=1S/C13H11N3O3/c17-13(12-5-8-16-19-12)15-7-1-2-9-18-11-4-3-6-14-10-11/h3-6,8,10H,7,9H2,(H,15,17)
InChIKeyRPTNXEFIGOGILZ-UHFFFAOYSA-N
XLogP0.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578973
N-(4-pyridin-3-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzamide
CID 90579041
4-cyano-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90579015
3-chloro-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578880
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]-1,2-oxazole-5-carboxamide
CID 90576758
2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
CID 90578916
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
CID 90578907
N-(4-pyridin-3-yloxybut-2-ynyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90579027
1-(3,4-dimethoxyphenyl)-3-(4-pyridin-3-yloxybut-2-ynyl)urea
CID 90579058
1-(2,4-dimethoxyphenyl)-3-(4-pyridin-3-yloxybut-2-ynyl)urea
CID 90579062
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-phenylacetamide
CID 90579339

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide (CID 90578764) is N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide is O=C(NCC#CCOc1cccnc1)c1ccno1.
What is the InChIKey of N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RPTNXEFIGOGILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(12-5-8-16-19-12)15-7-1-2-9-18-11-4-3-6-14-10-11/h3-6,8,10H,7,9H2,(H,15,17).
What are the key properties of N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide?
N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90578764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).