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

C24H32N4O4 — CID 25095449

IUPAC2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
SMILESCc1cccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)c1
InChIInChI=1S/C24H32N4O4/c1-15-3-2-4-20(13-15)26-24-28-27-23(32-24)22(31)25-19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-21(29)30/h2-4,13,16-19H,5-12,14H2,1H3,(H,25,31)(H,26,28)(H,29,30)
InChIKeyMBKLFNDGBAHDNI-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.69
Rot. Bonds7

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

2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid (PubChem CID 25095449) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
PubChem CID25095449
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
SMILESCc1cccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)c1
InChIInChI=1S/C24H32N4O4/c1-15-3-2-4-20(13-15)26-24-28-27-23(32-24)22(31)25-19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-21(29)30/h2-4,13,16-19H,5-12,14H2,1H3,(H,25,31)(H,26,28)(H,29,30)
InChIKeyMBKLFNDGBAHDNI-UHFFFAOYSA-N
XLogP4.69
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
CID 25095183
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
2-[4-[4-[[5-(3-methylsulfonyloxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 87540024
2-[4-[4-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68682332
N-cyclopropyl-5-(3-methylanilino)pyridine-2-carboxamide
CID 109179924
2-[4-[4-[[5-(4-ethylsulfonylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685352
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11625416
2-[4-[4-[[5-[4-(trifluoromethylsulfanyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685663
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid (CID 25095449) is 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid is Cc1cccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)c1.
What is the InChIKey of 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The InChIKey is MBKLFNDGBAHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-15-3-2-4-20(13-15)26-24-28-27-23(32-24)22(31)25-19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-21(29)30/h2-4,13,16-19H,5-12,14H2,1H3,(H,25,31)(H,26,28)(H,29,30).
What are the key properties of 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid has a molecular weight of 440.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid is sourced from PubChem (CID 25095449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).