N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide

C21H21FN4O2 — CID 68686037

IUPACN-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C21H21FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,23,27)(H,24,26)
InChIKeyCXIMFQYRDRGFGD-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.25
Rot. Bonds5

About N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide

N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68686037) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68686037
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C21H21FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,23,27)(H,24,26)
InChIKeyCXIMFQYRDRGFGD-UHFFFAOYSA-N
XLogP5.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (CID 68686037) is N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CXIMFQYRDRGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,23,27)(H,24,26).
What are the key properties of N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68686037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).