5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C21H16N4O5 — CID 91517925

IUPAC5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H16N4O5/c1-28-14-9-7-13(8-10-14)23-20(27)17-18(15-5-2-3-11-22-15)25-30-21(17)24-19(26)16-6-4-12-29-16/h2-12H,1H3,(H,23,27)(H,24,26)
InChIKeyVPHCXXAEGUVWAZ-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.84
Rot. Bonds6

About 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 91517925) has the molecular formula C21H16N4O5 and a molecular weight of 404.38 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID91517925
Molecular FormulaC21H16N4O5
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H16N4O5/c1-28-14-9-7-13(8-10-14)23-20(27)17-18(15-5-2-3-11-22-15)25-30-21(17)24-19(26)16-6-4-12-29-16/h2-12H,1H3,(H,23,27)(H,24,26)
InChIKeyVPHCXXAEGUVWAZ-UHFFFAOYSA-N
XLogP3.84
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-3-pyridin-2-yl-5-(pyridin-3-ylcarbamoylamino)-1,2-oxazole-4-carboxamide
CID 91290030
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
5-amino-N-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 91086247
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-propanoyl-5-(propanoylamino)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 5304260
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 91517925) is 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccccn3)noc2NC(=O)c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is VPHCXXAEGUVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5/c1-28-14-9-7-13(8-10-14)23-20(27)17-18(15-5-2-3-11-22-15)25-30-21(17)24-19(26)16-6-4-12-29-16/h2-12H,1H3,(H,23,27)(H,24,26).
What are the key properties of 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91517925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).