tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate

C17H29N3O3 — CID 102673272

IUPACtert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1nc(CNC2CCCC2CNC(=O)OC(C)(C)C)oc1C
InChIInChI=1S/C17H29N3O3/c1-11-12(2)22-15(20-11)10-18-14-8-6-7-13(14)9-19-16(21)23-17(3,4)5/h13-14,18H,6-10H2,1-5H3,(H,19,21)
InChIKeyHQTAINWEAIGMRO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 102673272) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID102673272
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1nc(CNC2CCCC2CNC(=O)OC(C)(C)C)oc1C
InChIInChI=1S/C17H29N3O3/c1-11-12(2)22-15(20-11)10-18-14-8-6-7-13(14)9-19-16(21)23-17(3,4)5/h13-14,18H,6-10H2,1-5H3,(H,19,21)
InChIKeyHQTAINWEAIGMRO-UHFFFAOYSA-N
XLogP3.07
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947994
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728
tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 106393408
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate (CID 102673272) is tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate is Cc1nc(CNC2CCCC2CNC(=O)OC(C)(C)C)oc1C.
What is the InChIKey of tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is HQTAINWEAIGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11-12(2)22-15(20-11)10-18-14-8-6-7-13(14)9-19-16(21)23-17(3,4)5/h13-14,18H,6-10H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 102673272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).