4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C23H22F2N4O5 — CID 58231063

IUPAC4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCc1cc(CC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cnc1OC1CCC(C(=O)O)CC1
InChIInChI=1S/C23H22F2N4O5/c1-12-8-13(11-26-20(12)33-16-5-2-14(3-6-16)22(31)32)9-19(30)21-28-29-23(34-21)27-15-4-7-17(24)18(25)10-15/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3,(H,27,29)(H,31,32)
InChIKeyURVZGKVLDNZQFL-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.24
Rot. Bonds8

About 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid

4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 58231063) has the molecular formula C23H22F2N4O5 and a molecular weight of 472.45 g/mol. Its IUPAC name is 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID58231063
Molecular FormulaC23H22F2N4O5
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC Name4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
SMILESCc1cc(CC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cnc1OC1CCC(C(=O)O)CC1
InChIInChI=1S/C23H22F2N4O5/c1-12-8-13(11-26-20(12)33-16-5-2-14(3-6-16)22(31)32)9-19(30)21-28-29-23(34-21)27-15-4-7-17(24)18(25)10-15/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3,(H,27,29)(H,31,32)
InChIKeyURVZGKVLDNZQFL-UHFFFAOYSA-N
XLogP4.24
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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
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-[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-[[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
5-(3,4-difluoroanilino)-N-[6-[4-(methoxymethyl)cyclohexyl]oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 143766463
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-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-6-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087422
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
4-[4-[[5-(cyclohexylamino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 46701326
4-[4-[[5-[3-(difluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenoxy]cyclohexane-1-carboxylic acid
CID 23652485
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
5-(3,4-difluoroanilino)-N-[6-(2-phenylmethoxyspiro[3.5]nonan-7-yl)oxy-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 118275326

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 58231063) is 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is Cc1cc(CC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cnc1OC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
The InChIKey is URVZGKVLDNZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O5/c1-12-8-13(11-26-20(12)33-16-5-2-14(3-6-16)22(31)32)9-19(30)21-28-29-23(34-21)27-15-4-7-17(24)18(25)10-15/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3,(H,27,29)(H,31,32).
What are the key properties of 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid?
4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 472.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[5-(3,4-difluoroanilino)-1,3,4-oxadiazol-2-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58231063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).