5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide

C23H25FN4O3 — CID 59464071

IUPAC5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCC(CCO)CC2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C23H25FN4O3/c24-19-3-1-2-4-20(19)26-23-28-27-22(31-23)21(30)25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-29/h1-4,9-12,15-16,29H,5-8,13-14H2,(H,25,30)(H,26,28)
InChIKeyISNWSUKDLTVVST-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.86
Rot. Bonds7

About 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide

5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 59464071) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID59464071
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CCC(CCO)CC2)cc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C23H25FN4O3/c24-19-3-1-2-4-20(19)26-23-28-27-22(31-23)21(30)25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-29/h1-4,9-12,15-16,29H,5-8,13-14H2,(H,25,30)(H,26,28)
InChIKeyISNWSUKDLTVVST-UHFFFAOYSA-N
XLogP4.86
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(aminomethyl)cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464165
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68685545
(2S,4R)-1-[2-[4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 68681801
methyl (2R)-1-[2-[4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetyl]-2-methylpyrrolidin-1-ium-1-carboxylate
CID 91417316
2-[4-[4-[[5-[2-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683346
methyl 2-methyl-2-[4-[4-[[5-(2,3,4-trifluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]propanoate
CID 69397494
2-[4-[4-[[5-(2,4-dichloroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68681985
2-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]sulfanylacetic acid
CID 68686576
2-[4-[4-[[5-(4-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683617
2-[4-[4-[[5-[4-(trifluoromethylsulfanyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685663
2-[4-[4-[[5-[4-[(2-methylpropan-2-yl)oxy]anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68686095
2-[4-[4-[[5-(4-ethylsulfonylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685352

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 59464071) is 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(C2CCC(CCO)CC2)cc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ISNWSUKDLTVVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-19-3-1-2-4-20(19)26-23-28-27-22(31-23)21(30)25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-14-29/h1-4,9-12,15-16,29H,5-8,13-14H2,(H,25,30)(H,26,28).
What are the key properties of 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 59464071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).