ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate

C25H33N5O4 — CID 70969672

IUPACethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(NC(=O)c2nn(CC3CCCCC3)c3ccccc23)C(C)(C)C)n1
InChIInChI=1S/C25H33N5O4/c1-5-33-24(32)21-27-23(34-29-21)20(25(2,3)4)26-22(31)19-17-13-9-10-14-18(17)30(28-19)15-16-11-7-6-8-12-16/h9-10,13-14,16,20H,5-8,11-12,15H2,1-4H3,(H,26,31)
InChIKeyZYHFXEOKIKYYTB-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.69
Rot. Bonds7

About ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 70969672) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID70969672
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Nameethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(NC(=O)c2nn(CC3CCCCC3)c3ccccc23)C(C)(C)C)n1
InChIInChI=1S/C25H33N5O4/c1-5-33-24(32)21-27-23(34-29-21)20(25(2,3)4)26-22(31)19-17-13-9-10-14-18(17)30(28-19)15-16-11-7-6-8-12-16/h9-10,13-14,16,20H,5-8,11-12,15H2,1-4H3,(H,26,31)
InChIKeyZYHFXEOKIKYYTB-UHFFFAOYSA-N
XLogP4.69
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate (CID 70969672) is ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(NC(=O)c2nn(CC3CCCCC3)c3ccccc23)C(C)(C)C)n1.
What is the InChIKey of ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is ZYHFXEOKIKYYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-5-33-24(32)21-27-23(34-29-21)20(25(2,3)4)26-22(31)19-17-13-9-10-14-18(17)30(28-19)15-16-11-7-6-8-12-16/h9-10,13-14,16,20H,5-8,11-12,15H2,1-4H3,(H,26,31).
What are the key properties of ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 70969672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).