N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide

C20H16FN5O2 — CID 20931707

IUPACN-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN5O2/c1-13-17(12-26(24-13)16-5-3-2-4-6-16)18-23-20(28-25-18)19(27)22-11-14-7-9-15(21)10-8-14/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyCVEOIFPGWUUQEU-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.30
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931707) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931707
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN5O2/c1-13-17(12-26(24-13)16-5-3-2-4-6-16)18-23-20(28-25-18)19(27)22-11-14-7-9-15(21)10-8-14/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyCVEOIFPGWUUQEU-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide (CID 20931707) is N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CVEOIFPGWUUQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-17(12-26(24-13)16-5-3-2-4-6-16)18-23-20(28-25-18)19(27)22-11-14-7-9-15(21)10-8-14/h2-10,12H,11H2,1H3,(H,22,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 377.38 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 N-[(4-fluorophenyl)methyl]-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).