5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide

C21H15N3O4 — CID 90579599

IUPAC5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2cccnc12)c1cc(-c2ccco2)on1
InChIInChI=1S/C21H15N3O4/c25-21(16-14-19(28-24-16)17-9-5-13-26-17)23-10-1-2-12-27-18-8-3-6-15-7-4-11-22-20(15)18/h3-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyAKZIFYFXUQLZRH-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.30
Rot. Bonds5

About 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide (PubChem CID 90579599) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
PubChem CID90579599
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2cccnc12)c1cc(-c2ccco2)on1
InChIInChI=1S/C21H15N3O4/c25-21(16-14-19(28-24-16)17-9-5-13-26-17)23-10-1-2-12-27-18-8-3-6-15-7-4-11-22-20(15)18/h3-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyAKZIFYFXUQLZRH-UHFFFAOYSA-N
XLogP3.30
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-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

5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90577990
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
N-[2-(furan-2-yl)ethyl]-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42382062
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
4,5-dimethoxy-2-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579786
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90552025
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42566769
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide (CID 90579599) is 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide is O=C(NCC#CCOc1cccc2cccnc12)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AKZIFYFXUQLZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-21(16-14-19(28-24-16)17-9-5-13-26-17)23-10-1-2-12-27-18-8-3-6-15-7-4-11-22-20(15)18/h3-9,11,13-14H,10,12H2,(H,23,25).
What are the key properties of 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90579599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).