ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate

C24H24F2N4O5 — CID 59179732

IUPACethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)cc4)o3)c(F)c2)CC1
InChIInChI=1S/C24H24F2N4O5/c1-2-33-23(32)14-3-9-17(10-4-14)34-18-11-12-20(19(26)13-18)28-21(31)22-29-30-24(35-22)27-16-7-5-15(25)6-8-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,27,30)(H,28,31)
InChIKeyABGCBHBFFVOZIG-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.84
Rot. Bonds8

About ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate

ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate (PubChem CID 59179732) has the molecular formula C24H24F2N4O5 and a molecular weight of 486.48 g/mol. Its IUPAC name is ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
PubChem CID59179732
Molecular FormulaC24H24F2N4O5
Molecular Weight486.48 g/mol
Exact Mass486.17
IUPAC Nameethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)cc4)o3)c(F)c2)CC1
InChIInChI=1S/C24H24F2N4O5/c1-2-33-23(32)14-3-9-17(10-4-14)34-18-11-12-20(19(26)13-18)28-21(31)22-29-30-24(35-22)27-16-7-5-15(25)6-8-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,27,30)(H,28,31)
InChIKeyABGCBHBFFVOZIG-UHFFFAOYSA-N
XLogP4.84
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[4-[[5-(2,4,5-trifluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
CID 68682439
methyl 4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-6-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087422
4-[4-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-3-fluorophenyl]cyclohexane-1-carboxylic acid
CID 46244020
4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
CID 23652485
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
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-[4-(methoxymethyl)cyclohexyl]oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 143766463
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
sodium;4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-fluorophenyl]cyclohexane-1-carboxylic acid;(3,4-difluorophenyl) thiocyanate;ethyl 4-(4-amino-3-fluorophenyl)cyclohexane-1-carboxylate;ethyl 4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-fluorophenyl]cyclohexane-1-carboxylate;ethyl 4-[3-fluoro-4-[(2-hydrazinyl-2-oxoacetyl)amino]phenyl]cyclohexane-1-carboxylate;ethyl 4-[3-fluoro-4-[(2-methoxy-2-oxoacetyl)amino]phenyl]cyclohexane-1-carboxylate;hydrazine;hydroxide;hydrochloride
CID 158392778
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate (CID 59179732) is ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)cc4)o3)c(F)c2)CC1.
What is the InChIKey of ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate?
The InChIKey is ABGCBHBFFVOZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O5/c1-2-33-23(32)14-3-9-17(10-4-14)34-18-11-12-20(19(26)13-18)28-21(31)22-29-30-24(35-22)27-16-7-5-15(25)6-8-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,27,30)(H,28,31).
What are the key properties of ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate?
ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate has a molecular weight of 486.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 59179732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).