2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid

C22H21F2N5O5 — CID 25192656

IUPAC2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)CC1
InChIInChI=1S/C22H21F2N5O5/c23-16-7-3-13(10-17(16)24)27-22-29-28-21(34-22)20(32)26-14-4-8-18(25-11-14)33-15-5-1-12(2-6-15)9-19(30)31/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H,26,32)(H,27,29)(H,30,31)
InChIKeyKCEBLEVIKCWQMU-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.15
Rot. Bonds8

About 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid

2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 25192656) has the molecular formula C22H21F2N5O5 and a molecular weight of 473.44 g/mol. Its IUPAC name is 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID25192656
Molecular FormulaC22H21F2N5O5
Molecular Weight473.44 g/mol
Exact Mass473.15
IUPAC Name2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)CC1
InChIInChI=1S/C22H21F2N5O5/c23-16-7-3-13(10-17(16)24)27-22-29-28-21(34-22)20(32)26-14-4-8-18(25-11-14)33-15-5-1-12(2-6-15)9-19(30)31/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H,26,32)(H,27,29)(H,30,31)
InChIKeyKCEBLEVIKCWQMU-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 25192656) is 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid is O=C(O)CC1CCC(Oc2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn2)CC1.
What is the InChIKey of 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is KCEBLEVIKCWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O5/c23-16-7-3-13(10-17(16)24)27-22-29-28-21(34-22)20(32)26-14-4-8-18(25-11-14)33-15-5-1-12(2-6-15)9-19(30)31/h3-4,7-8,10-12,15H,1-2,5-6,9H2,(H,26,32)(H,27,29)(H,30,31).
What are the key properties of 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 473.44 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 25192656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).