tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate

C16H28N4O3 — CID 75510992

IUPACtert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate
SMILESCCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C16H28N4O3/c1-5-14-19-13(20-23-14)10-17-11-8-6-7-9-12(11)18-15(21)22-16(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyAVVQFPWRXTVNFH-VXGBXAGGSA-N
MW324.43 g/mol
LogP2.56
Rot. Bonds5

About tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate

tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate (PubChem CID 75510992) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate
PubChem CID75510992
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate
SMILESCCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C16H28N4O3/c1-5-14-19-13(20-23-14)10-17-11-8-6-7-9-12(11)18-15(21)22-16(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyAVVQFPWRXTVNFH-VXGBXAGGSA-N
XLogP2.56
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
CID 95312192
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate (CID 75510992) is tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate is CCc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is AVVQFPWRXTVNFH-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-5-14-19-13(20-23-14)10-17-11-8-6-7-9-12(11)18-15(21)22-16(2,3)4/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 75510992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).