tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate

C18H28F2N4O4 — CID 168885310

IUPACtert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2noc(C(C)(C)C)n2)C(F)(F)C1
InChIInChI=1S/C18H28F2N4O4/c1-16(2,3)14-22-12(23-28-14)13(25)21-9-11-7-8-24(10-18(11,19)20)15(26)27-17(4,5)6/h11H,7-10H2,1-6H3,(H,21,25)
InChIKeyAIMRZXOLBWQFQZ-UHFFFAOYSA-N
MW402.44 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate

tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate (PubChem CID 168885310) has the molecular formula C18H28F2N4O4 and a molecular weight of 402.44 g/mol. Its IUPAC name is tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate
PubChem CID168885310
Molecular FormulaC18H28F2N4O4
Molecular Weight402.44 g/mol
Exact Mass402.21
IUPAC Nametert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2noc(C(C)(C)C)n2)C(F)(F)C1
InChIInChI=1S/C18H28F2N4O4/c1-16(2,3)14-22-12(23-28-14)13(25)21-9-11-7-8-24(10-18(11,19)20)15(26)27-17(4,5)6/h11H,7-10H2,1-6H3,(H,21,25)
InChIKeyAIMRZXOLBWQFQZ-UHFFFAOYSA-N
XLogP2.99
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3,3-difluoro-4-[[(6-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 134554642
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 86695049
tert-butyl (4S)-3,3-difluoro-4-(2-pyrazin-2-ylethyl)piperidine-1-carboxylate
CID 147214057
tert-butyl 4-[[(5-cyanopyrazin-2-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate
CID 134554675
tert-butyl (5S)-8-bromo-5-[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 175930105
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylimino-iminoazanium
CID 139295928
tert-butyl 4-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-methylphenyl]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 162725315
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate (CID 168885310) is tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)c2noc(C(C)(C)C)n2)C(F)(F)C1.
What is the InChIKey of tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate?
The InChIKey is AIMRZXOLBWQFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N4O4/c1-16(2,3)14-22-12(23-28-14)13(25)21-9-11-7-8-24(10-18(11,19)20)15(26)27-17(4,5)6/h11H,7-10H2,1-6H3,(H,21,25).
What are the key properties of tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate?
tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate has a molecular weight of 402.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 168885310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).