tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate

C10H17N3O3 — CID 139228466

IUPACtert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(CN)on1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)15-9(14)12-6-7-4-8(5-11)16-13-7/h4H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyKPHXAFKWTVRAHM-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.16
Rot. Bonds3

About tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate

tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate (PubChem CID 139228466) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
PubChem CID139228466
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(CN)on1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)15-9(14)12-6-7-4-8(5-11)16-13-7/h4H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyKPHXAFKWTVRAHM-UHFFFAOYSA-N
XLogP1.16
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[3-(dicyclohexylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 56965834
tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
CID 23551937
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate (CID 139228466) is tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(CN)on1.
What is the InChIKey of tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate?
The InChIKey is KPHXAFKWTVRAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)15-9(14)12-6-7-4-8(5-11)16-13-7/h4H,5-6,11H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate is sourced from PubChem (CID 139228466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).