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

C22H16N2O4 — CID 90577990

IUPAC5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1cc(-c2ccco2)on1
InChIInChI=1S/C22H16N2O4/c25-22(18-15-21(28-24-18)20-11-6-14-27-20)23-12-3-4-13-26-19-10-5-8-16-7-1-2-9-17(16)19/h1-2,5-11,14-15H,12-13H2,(H,23,25)
InChIKeyGXHXIJBHLLLJHZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.90
Rot. Bonds5

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

5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide (PubChem CID 90577990) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
PubChem CID90577990
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#CCOc1cccc2ccccc12)c1cc(-c2ccco2)on1
InChIInChI=1S/C22H16N2O4/c25-22(18-15-21(28-24-18)20-11-6-14-27-20)23-12-3-4-13-26-19-10-5-8-16-7-1-2-9-17(16)19/h1-2,5-11,14-15H,12-13H2,(H,23,25)
InChIKeyGXHXIJBHLLLJHZ-UHFFFAOYSA-N
XLogP3.90
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90579599
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90552025
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 71803213
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
5-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 54897309
N-(4-naphthalen-1-yloxybut-2-ynyl)-3H-benzimidazole-5-carboxamide
CID 90578009
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
5-(furan-2-yl)-N-[2-(N-methylanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24668034

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide (CID 90577990) is 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide is O=C(NCC#CCOc1cccc2ccccc12)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GXHXIJBHLLLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-22(18-15-21(28-24-18)20-11-6-14-27-20)23-12-3-4-13-26-19-10-5-8-16-7-1-2-9-17(16)19/h1-2,5-11,14-15H,12-13H2,(H,23,25).
What are the key properties of 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90577990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).