4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C22H20ClFN4O5 — CID 58230958

IUPAC4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C22H20ClFN4O5/c23-16-10-14(4-7-17(16)24)26-22-28-27-20(33-22)18(29)9-12-1-8-19(25-11-12)32-15-5-2-13(3-6-15)21(30)31/h1,4,7-8,10-11,13,15H,2-3,5-6,9H2,(H,26,28)(H,30,31)
InChIKeyPXEYDPOSTQVXRJ-UHFFFAOYSA-N
MW474.88 g/mol
LogP4.45
Rot. Bonds8

About 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 58230958) has the molecular formula C22H20ClFN4O5 and a molecular weight of 474.88 g/mol. Its IUPAC name is 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID58230958
Molecular FormulaC22H20ClFN4O5
Molecular Weight474.88 g/mol
Exact Mass474.11
IUPAC Name4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C22H20ClFN4O5/c23-16-10-14(4-7-17(16)24)26-22-28-27-20(33-22)18(29)9-12-1-8-19(25-11-12)32-15-5-2-13(3-6-15)21(30)31/h1,4,7-8,10-11,13,15H,2-3,5-6,9H2,(H,26,28)(H,30,31)
InChIKeyPXEYDPOSTQVXRJ-UHFFFAOYSA-N
XLogP4.45
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-4-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58231099
4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58231063
methyl 4-[[3-chloro-5-[2-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58231082
4-[[5-[[5-(2,3-dichloroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58231073
methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58230932
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
5-(3,4-difluoroanilino)-N-[6-[4-(methoxymethyl)cyclohexyl]oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 143766463
4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58231106
methyl 4-[[5-[[5-(4-chloro-2-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087595
5-(3,4-difluoroanilino)-N-[6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 118275326
methyl 4-[[5-[[5-(4-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 71031019
methyl 4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-6-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087422

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 58230958) is 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is O=C(Cc1ccc(OC2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is PXEYDPOSTQVXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O5/c23-16-10-14(4-7-17(16)24)26-22-28-27-20(33-22)18(29)9-12-1-8-19(25-11-12)32-15-5-2-13(3-6-15)21(30)31/h1,4,7-8,10-11,13,15H,2-3,5-6,9H2,(H,26,28)(H,30,31).
What are the key properties of 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 474.88 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58230958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).