tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate

C11H19N3O3 — CID 138376888

IUPACtert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ocnc1CN
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-5-4-9-8(6-12)14-7-16-9/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyZHHIDLSKIHBFRD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.20
Rot. Bonds4

About tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate

tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate (PubChem CID 138376888) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
PubChem CID138376888
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ocnc1CN
InChIInChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-5-4-9-8(6-12)14-7-16-9/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyZHHIDLSKIHBFRD-UHFFFAOYSA-N
XLogP1.20
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate (CID 138376888) is tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ocnc1CN.
What is the InChIKey of tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate?
The InChIKey is ZHHIDLSKIHBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)17-10(15)13-5-4-9-8(6-12)14-7-16-9/h7H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.20, 4 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-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 138376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).