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

C13H23N3O3 — CID 107245513

IUPACtert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCc1cnco1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-5-16(12(17)19-13(2,3)4)7-6-14-8-11-9-15-10-18-11/h9-10,14H,5-8H2,1-4H3
InChIKeyAQIMNYMLZBHIBU-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.02
Rot. Bonds6

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

tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate (PubChem CID 107245513) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate
PubChem CID107245513
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCc1cnco1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-5-16(12(17)19-13(2,3)4)7-6-14-8-11-9-15-10-18-11/h9-10,14H,5-8H2,1-4H3
InChIKeyAQIMNYMLZBHIBU-UHFFFAOYSA-N
XLogP2.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-ethyl-N-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107245444
tert-butyl N-ethyl-N-[2-[(2,4,5-trimethylphenyl)methylamino]ethyl]carbamate
CID 107245427
tert-butyl N-[2-methyl-1-(1,3-oxazol-5-ylmethylamino)propan-2-yl]carbamate
CID 107250071
tert-butyl N-[[4-[(1,3-oxazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244234
tert-butyl N-[2-[(5-cyanothiophen-2-yl)methylamino]ethyl]-N-ethylcarbamate
CID 103729204
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
tert-butyl N-[2-[(4-cyanothiophen-2-yl)methylamino]ethyl]-N-ethylcarbamate
CID 103724173
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]ethyl]carbamate
CID 107245523
tert-butyl N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]-N-ethylcarbamate
CID 107245367
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate (CID 107245513) is tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate is CCN(CCNCc1cnco1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate?
The InChIKey is AQIMNYMLZBHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-16(12(17)19-13(2,3)4)7-6-14-8-11-9-15-10-18-11/h9-10,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1,3-oxazol-5-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).