tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate

C16H28N4O3 — CID 97019025

IUPACtert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)c1noc(N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N4O3/c1-10(2)13-19-14(23-20-13)18-12-8-6-7-11(12)9-17-15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,21)(H,18,19,20)/t11-,12-/m0/s1
InChIKeyVLRCBPANEGNEOX-RYUDHWBXSA-N
MW324.43 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate (PubChem CID 97019025) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate
PubChem CID97019025
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)c1noc(N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H28N4O3/c1-10(2)13-19-14(23-20-13)18-12-8-6-7-11(12)9-17-15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,21)(H,18,19,20)/t11-,12-/m0/s1
InChIKeyVLRCBPANEGNEOX-RYUDHWBXSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-(4-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695645
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 102673272
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[[2-(2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695647
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate (CID 97019025) is tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate is CC(C)c1noc(N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is VLRCBPANEGNEOX-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-10(2)13-19-14(23-20-13)18-12-8-6-7-11(12)9-17-15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,21)(H,18,19,20)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 97019025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).