methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate

C23H23ClFN5O6 — CID 58230932

IUPACmethyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ncc(NC(=O)c3nnc(Nc4ccc(F)c(Cl)c4)o3)cc2OC)CC1
InChIInChI=1S/C23H23ClFN5O6/c1-33-18-10-14(11-26-20(18)35-15-6-3-12(4-7-15)22(32)34-2)27-19(31)21-29-30-23(36-21)28-13-5-8-17(25)16(24)9-13/h5,8-12,15H,3-4,6-7H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyBRPJPHUQOOMVKV-UHFFFAOYSA-N
MW519.92 g/mol
LogP4.37
Rot. Bonds8

About methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate

methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 58230932) has the molecular formula C23H23ClFN5O6 and a molecular weight of 519.92 g/mol. Its IUPAC name is methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
PubChem CID58230932
Molecular FormulaC23H23ClFN5O6
Molecular Weight519.92 g/mol
Exact Mass519.13
IUPAC Namemethyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ncc(NC(=O)c3nnc(Nc4ccc(F)c(Cl)c4)o3)cc2OC)CC1
InChIInChI=1S/C23H23ClFN5O6/c1-33-18-10-14(11-26-20(18)35-15-6-3-12(4-7-15)22(32)34-2)27-19(31)21-29-30-23(36-21)28-13-5-8-17(25)16(24)9-13/h5,8-12,15H,3-4,6-7H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyBRPJPHUQOOMVKV-UHFFFAOYSA-N
XLogP4.37
TPSA137.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
methyl 4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-6-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087422
methyl 4-[[5-[[5-(4-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 71031019
methyl 4-[4-[[5-(2,4,5-trifluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
CID 68682439
5-(3,4-difluoroanilino)-N-[6-[4-(methoxymethyl)cyclohexyl]oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 143766463
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
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58231026
methyl 3-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclobutane-1-carboxylate
CID 68684968
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
ethyl 4-[3-fluoro-4-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylate
CID 59179732

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The IUPAC name of 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) is methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(Oc2ncc(NC(=O)c3nnc(Nc4ccc(F)c(Cl)c4)o3)cc2OC)CC1.
What is the InChIKey of methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The InChIKey is BRPJPHUQOOMVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O6/c1-33-18-10-14(11-26-20(18)35-15-6-3-12(4-7-15)22(32)34-2)27-19(31)21-29-30-23(36-21)28-13-5-8-17(25)16(24)9-13/h5,8-12,15H,3-4,6-7H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 519.92 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[5-(3-chloro-4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 58230932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).