2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid

C24H23N5O4 — CID 68684028

IUPAC2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
SMILESN#Cc1cccc(Nc2nnc(C(=O)Nc3ccc(C4CCC(CC(=O)O)CC4)cc3)o2)c1
InChIInChI=1S/C24H23N5O4/c25-14-16-2-1-3-20(12-16)27-24-29-28-23(33-24)22(32)26-19-10-8-18(9-11-19)17-6-4-15(5-7-17)13-21(30)31/h1-3,8-12,15,17H,4-7,13H2,(H,26,32)(H,27,29)(H,30,31)
InChIKeyDOHXEKCQEZNFRI-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.69
Rot. Bonds7

About 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid

2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid (PubChem CID 68684028) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
PubChem CID68684028
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
SMILESN#Cc1cccc(Nc2nnc(C(=O)Nc3ccc(C4CCC(CC(=O)O)CC4)cc3)o2)c1
InChIInChI=1S/C24H23N5O4/c25-14-16-2-1-3-20(12-16)27-24-29-28-23(33-24)22(32)26-19-10-8-18(9-11-19)17-6-4-15(5-7-17)13-21(30)31/h1-3,8-12,15,17H,4-7,13H2,(H,26,32)(H,27,29)(H,30,31)
InChIKeyDOHXEKCQEZNFRI-UHFFFAOYSA-N
XLogP4.69
TPSA141.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[4-[4-[[5-(4-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683617
2-[4-[4-[[5-(3-methylsulfonyloxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 87540024
2-[4-[4-[[5-[4-(trifluoromethylsulfanyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685663
2-[4-[4-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68682332
2-[4-[4-[[5-(4-ethylsulfonylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685352
2-[4-[4-[[5-(2,4-dichloroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68681985
2-[4-[4-[[5-[4-[(2-methylpropan-2-yl)oxy]anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68686095
(2S)-2-[4-[4-[[5-(4-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]propanoic acid
CID 68681989
2-[4-[4-[[5-[2-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683346
[4-[4-[[5-[3-(benzenesulfonyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
CID 69397895
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68685545
N-[4-[4-(aminomethyl)cyclohexyl]phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid (CID 68684028) is 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid is N#Cc1cccc(Nc2nnc(C(=O)Nc3ccc(C4CCC(CC(=O)O)CC4)cc3)o2)c1.
What is the InChIKey of 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid?
The InChIKey is DOHXEKCQEZNFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c25-14-16-2-1-3-20(12-16)27-24-29-28-23(33-24)22(32)26-19-10-8-18(9-11-19)17-6-4-15(5-7-17)13-21(30)31/h1-3,8-12,15,17H,4-7,13H2,(H,26,32)(H,27,29)(H,30,31).
What are the key properties of 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid has a molecular weight of 445.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-(3-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 68684028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).