tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate

C14H23N3O4 — CID 60618983

IUPACtert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate
SMILESCN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccon1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)10-17(8-7-16(4)5)13(19)11-6-9-20-15-11/h6,9H,7-8,10H2,1-5H3
InChIKeyXITPNVFVASLAGS-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.02
Rot. Bonds6

About tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate

tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate (PubChem CID 60618983) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate
PubChem CID60618983
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate
SMILESCN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccon1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)10-17(8-7-16(4)5)13(19)11-6-9-20-15-11/h6,9H,7-8,10H2,1-5H3
InChIKeyXITPNVFVASLAGS-UHFFFAOYSA-N
XLogP1.02
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate (CID 60618983) is tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate is CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccon1.
What is the InChIKey of tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate?
The InChIKey is XITPNVFVASLAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)21-12(18)10-17(8-7-16(4)5)13(19)11-6-9-20-15-11/h6,9H,7-8,10H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate?
tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate has a molecular weight of 297.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 60618983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).