3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide

C25H21N5O3 — CID 167548571

IUPAC3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N5O3/c1-16-10-12-18(13-11-16)23-27-25(33-29-23)17(2)26-24(31)21-15-20(22-9-6-14-32-22)28-30(21)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,26,31)
InChIKeyFKXWCYYGHGZGEV-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.98
Rot. Bonds6

About 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 167548571) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID167548571
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)cc1
InChIInChI=1S/C25H21N5O3/c1-16-10-12-18(13-11-16)23-27-25(33-29-23)17(2)26-24(31)21-15-20(22-9-6-14-32-22)28-30(21)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,26,31)
InChIKeyFKXWCYYGHGZGEV-UHFFFAOYSA-N
XLogP4.98
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053683
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
CID 55975353
N-[1-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53112536
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide (CID 167548571) is 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide is Cc1ccc(-c2noc(C(C)NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is FKXWCYYGHGZGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-16-10-12-18(13-11-16)23-27-25(33-29-23)17(2)26-24(31)21-15-20(22-9-6-14-32-22)28-30(21)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,26,31).
What are the key properties of 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 167548571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).