tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate

C15H26N4O3 — CID 106393408

IUPACtert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1ncon1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17-8-11-6-4-5-7-12(11)16-9-13-18-10-21-19-13/h10-12,16H,4-9H2,1-3H3,(H,17,20)
InChIKeyRSWAEWHLICTEBO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate (PubChem CID 106393408) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
PubChem CID106393408
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1ncon1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17-8-11-6-4-5-7-12(11)16-9-13-18-10-21-19-13/h10-12,16H,4-9H2,1-3H3,(H,17,20)
InChIKeyRSWAEWHLICTEBO-UHFFFAOYSA-N
XLogP2.24
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 106395906
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 102673272
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695436
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate (CID 106393408) is tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCc1ncon1.
What is the InChIKey of tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is RSWAEWHLICTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)22-14(20)17-8-11-6-4-5-7-12(11)16-9-13-18-10-21-19-13/h10-12,16H,4-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 106393408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).