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

C22H21F2N5O5 — CID 142703113

IUPAC1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCCCC2)nc1)c1nnc(Nc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C22H21F2N5O5/c23-20(24)33-15-7-4-13(5-8-15)27-21-29-28-18(34-21)17(30)26-14-6-9-16(25-12-14)22(19(31)32)10-2-1-3-11-22/h4-9,12,20H,1-3,10-11H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyDIPLUPUIPRFMEI-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.35
Rot. Bonds8

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

1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid (PubChem CID 142703113) has the molecular formula C22H21F2N5O5 and a molecular weight of 473.44 g/mol. Its IUPAC name is 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
PubChem CID142703113
Molecular FormulaC22H21F2N5O5
Molecular Weight473.44 g/mol
Exact Mass473.15
IUPAC Name1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(C2(C(=O)O)CCCCC2)nc1)c1nnc(Nc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C22H21F2N5O5/c23-20(24)33-15-7-4-13(5-8-15)27-21-29-28-18(34-21)17(30)26-14-6-9-16(25-12-14)22(19(31)32)10-2-1-3-11-22/h4-9,12,20H,1-3,10-11H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyDIPLUPUIPRFMEI-UHFFFAOYSA-N
XLogP4.35
TPSA139.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
CID 23652485
4-[4-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-3-fluorophenyl]cyclohexane-1-carboxylic acid
CID 46244020
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
methyl 2-[1-[5-[[5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 91264909
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
6-[4-[[5-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]spiro[2.5]octane-2-carboxylate
CID 154047471
4-[4-[[5-(cyclohexylamino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 46701326

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid (CID 142703113) is 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(C2(C(=O)O)CCCCC2)nc1)c1nnc(Nc2ccc(OC(F)F)cc2)o1.
What is the InChIKey of 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The InChIKey is DIPLUPUIPRFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O5/c23-20(24)33-15-7-4-13(5-8-15)27-21-29-28-18(34-21)17(30)26-14-6-9-16(25-12-14)22(19(31)32)10-2-1-3-11-22/h4-9,12,20H,1-3,10-11H2,(H,26,30)(H,27,29)(H,31,32).
What are the key properties of 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid?
1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid has a molecular weight of 473.44 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-[4-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142703113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).