tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate

C14H23N3O3 — CID 106415109

IUPACtert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccno2)C1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)15-9-12-6-7-16-20-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyOEEJJIODWFVTRP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate (PubChem CID 106415109) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
PubChem CID106415109
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2ccno2)C1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)15-9-12-6-7-16-20-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyOEEJJIODWFVTRP-UHFFFAOYSA-N
XLogP2.21
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
CID 79462025
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
tert-butyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]carbamate
CID 103720142
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103720143
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate (CID 106415109) is tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2ccno2)C1.
What is the InChIKey of tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate?
The InChIKey is OEEJJIODWFVTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)19-13(18)17-11-5-4-10(8-11)15-9-12-6-7-16-20-12/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 106415109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).