tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate

C23H31N5O3 — CID 134477858

IUPACtert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCC(NC(=O)OC(C)(C)C)CC4)n3)cc21
InChIInChI=1S/C23H31N5O3/c1-14(2)28-19-12-16(6-7-17(19)13-24-28)20-26-21(31-27-20)15-8-10-18(11-9-15)25-22(29)30-23(3,4)5/h6-7,12-15,18H,8-11H2,1-5H3,(H,25,29)
InChIKeyNIHXDIAQBRWJNV-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.22
Rot. Bonds4

About tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate

tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate (PubChem CID 134477858) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
PubChem CID134477858
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Nametert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCC(NC(=O)OC(C)(C)C)CC4)n3)cc21
InChIInChI=1S/C23H31N5O3/c1-14(2)28-19-12-16(6-7-17(19)13-24-28)20-26-21(31-27-20)15-8-10-18(11-9-15)25-22(29)30-23(3,4)5/h6-7,12-15,18H,8-11H2,1-5H3,(H,25,29)
InChIKeyNIHXDIAQBRWJNV-UHFFFAOYSA-N
XLogP5.22
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155
tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 134477788
tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 134478198
tert-butyl 3-[6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]azetidine-1-carboxylate;ethane
CID 142338166
5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 152870328
(1-methylcyclopropyl) 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153308090
tert-butyl 4-[3-[1-[(1E)-3-fluorobuta-1,3-dienyl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477759
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
N-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 153307983
[4-[3-[6-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]cyclobutyl]oxycarbonylphenyl]-oxoazanium
CID 153308138
tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate (CID 134477858) is tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate is CC(C)n1ncc2ccc(-c3noc(C4CCC(NC(=O)OC(C)(C)C)CC4)n3)cc21.
What is the InChIKey of tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
The InChIKey is NIHXDIAQBRWJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-14(2)28-19-12-16(6-7-17(19)13-24-28)20-26-21(31-27-20)15-8-10-18(11-9-15)25-22(29)30-23(3,4)5/h6-7,12-15,18H,8-11H2,1-5H3,(H,25,29).
What are the key properties of tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate has a molecular weight of 425.53 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 134477858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).