2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid

C22H21F3N6O5 — CID 59464337

IUPAC2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc(OC(F)(F)F)cc4)o3)cn2)CC1
InChIInChI=1S/C22H21F3N6O5/c23-22(24,25)36-16-4-1-14(2-5-16)28-21-30-29-20(35-21)19(34)27-15-3-6-17(26-12-15)31-9-7-13(8-10-31)11-18(32)33/h1-6,12-13H,7-11H2,(H,27,34)(H,28,30)(H,32,33)
InChIKeyBNXMUTDPCJKCNG-UHFFFAOYSA-N
MW506.44 g/mol
LogP4.05
Rot. Bonds8

About 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid

2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid (PubChem CID 59464337) has the molecular formula C22H21F3N6O5 and a molecular weight of 506.44 g/mol. Its IUPAC name is 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
PubChem CID59464337
Molecular FormulaC22H21F3N6O5
Molecular Weight506.44 g/mol
Exact Mass506.15
IUPAC Name2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc(OC(F)(F)F)cc4)o3)cn2)CC1
InChIInChI=1S/C22H21F3N6O5/c23-22(24,25)36-16-4-1-14(2-5-16)28-21-30-29-20(35-21)19(34)27-15-3-6-17(26-12-15)31-9-7-13(8-10-31)11-18(32)33/h1-6,12-13H,7-11H2,(H,27,34)(H,28,30)(H,32,33)
InChIKeyBNXMUTDPCJKCNG-UHFFFAOYSA-N
XLogP4.05
TPSA142.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[1-[5-[[5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 91264909
2-[1-[5-[[5-[[4-(4-fluorophenoxy)cyclohexyl]amino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 143243216
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
2-[4-[4-[[5-[4-[(2-methylpropan-2-yl)oxy]anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68686095
2-[1-[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68682101
2-[4-[4-[[5-[2-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683346
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
2-[4-[4-[[5-[4-(trifluoromethylsulfanyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685663
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
2-[4-[4-[[5-(4-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683617
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid (CID 59464337) is 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccc(NC(=O)c3nnc(Nc4ccc(OC(F)(F)F)cc4)o3)cn2)CC1.
What is the InChIKey of 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid?
The InChIKey is BNXMUTDPCJKCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O5/c23-22(24,25)36-16-4-1-14(2-5-16)28-21-30-29-20(35-21)19(34)27-15-3-6-17(26-12-15)31-9-7-13(8-10-31)11-18(32)33/h1-6,12-13H,7-11H2,(H,27,34)(H,28,30)(H,32,33).
What are the key properties of 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid?
2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid has a molecular weight of 506.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 59464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).