4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid

C23H22F2N4O6 — CID 23652485

IUPAC4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCC(C(=O)O)CC2)cc1)c1nnc(Nc2cccc(OC(F)F)c2)o1
InChIInChI=1S/C23H22F2N4O6/c24-22(25)34-18-3-1-2-15(12-18)27-23-29-28-20(35-23)19(30)26-14-6-10-17(11-7-14)33-16-8-4-13(5-9-16)21(31)32/h1-3,6-7,10-13,16,22H,4-5,8-9H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyUFTTVLQHXAWNMD-UHFFFAOYSA-N
MW488.45 g/mol
LogP4.69
Rot. Bonds9

About 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid

4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid (PubChem CID 23652485) has the molecular formula C23H22F2N4O6 and a molecular weight of 488.45 g/mol. Its IUPAC name is 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
PubChem CID23652485
Molecular FormulaC23H22F2N4O6
Molecular Weight488.45 g/mol
Exact Mass488.15
IUPAC Name4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCC(C(=O)O)CC2)cc1)c1nnc(Nc2cccc(OC(F)F)c2)o1
InChIInChI=1S/C23H22F2N4O6/c24-22(25)34-18-3-1-2-15(12-18)27-23-29-28-20(35-23)19(30)26-14-6-10-17(11-7-14)33-16-8-4-13(5-9-16)21(31)32/h1-3,6-7,10-13,16,22H,4-5,8-9H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyUFTTVLQHXAWNMD-UHFFFAOYSA-N
XLogP4.69
TPSA135.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[4-[[5-(4-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
CID 23652427
4-[4-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-3-fluorophenyl]cyclohexane-1-carboxylic acid
CID 46244020
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-[4-[[5-(2,4,5-trifluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
CID 68682439
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
4-[[5-[[5-(2,3-dichloroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58231073
4-[4-[[5-(cyclohexylamino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 46701326
5-(3-chloro-4-cyanoanilino)-N-(4-cyclohexyloxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 68632889
ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
CID 59179732
[4-[4-[[5-[3-(benzenesulfonyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
CID 69397895
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
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid (CID 23652485) is 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(OC2CCC(C(=O)O)CC2)cc1)c1nnc(Nc2cccc(OC(F)F)c2)o1.
What is the InChIKey of 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid?
The InChIKey is UFTTVLQHXAWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O6/c24-22(25)34-18-3-1-2-15(12-18)27-23-29-28-20(35-23)19(30)26-14-6-10-17(11-7-14)33-16-8-4-13(5-9-16)21(31)32/h1-3,6-7,10-13,16,22H,4-5,8-9H2,(H,26,30)(H,27,29)(H,31,32).
What are the key properties of 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid?
4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid has a molecular weight of 488.45 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23652485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).