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

C25H34N4O4 — CID 25095183

IUPAC2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
SMILESCCc1ccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)cc1
InChIInChI=1S/C25H34N4O4/c1-2-16-5-11-21(12-6-16)27-25-29-28-24(33-25)23(32)26-20-13-9-19(10-14-20)18-7-3-17(4-8-18)15-22(30)31/h5-6,11-12,17-20H,2-4,7-10,13-15H2,1H3,(H,26,32)(H,27,29)(H,30,31)
InChIKeyDHFVNBDZNYFGPE-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.95
Rot. Bonds8

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

2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid (PubChem CID 25095183) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
PubChem CID25095183
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
SMILESCCc1ccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)cc1
InChIInChI=1S/C25H34N4O4/c1-2-16-5-11-21(12-6-16)27-25-29-28-24(33-25)23(32)26-20-13-9-19(10-14-20)18-7-3-17(4-8-18)15-22(30)31/h5-6,11-12,17-20H,2-4,7-10,13-15H2,1H3,(H,26,32)(H,27,29)(H,30,31)
InChIKeyDHFVNBDZNYFGPE-UHFFFAOYSA-N
XLogP4.95
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
CID 25095449
2-[4-[4-[[5-(4-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68683617
2-[4-[4-[[5-(4-ethylsulfonylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68685352
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
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
2-[4-[4-[[5-(3-methylsulfonyloxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 87540024
2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 59464337
2-[4-[4-[[5-(2,4-dichloroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 68681985
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
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
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid (CID 25095183) is 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid is CCc1ccc(Nc2nnc(C(=O)NC3CCC(C4CCC(CC(=O)O)CC4)CC3)o2)cc1.
What is the InChIKey of 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
The InChIKey is DHFVNBDZNYFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-2-16-5-11-21(12-6-16)27-25-29-28-24(33-25)23(32)26-20-13-9-19(10-14-20)18-7-3-17(4-8-18)15-22(30)31/h5-6,11-12,17-20H,2-4,7-10,13-15H2,1H3,(H,26,32)(H,27,29)(H,30,31).
What are the key properties of 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid?
2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid has a molecular weight of 454.57 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-(4-ethylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid is sourced from PubChem (CID 25095183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).