tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate

C17H27N3O4 — CID 60618706

IUPACtert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
SMILESCN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H27N3O4/c1-17(2,3)23-15(21)11-20(9-8-19(4)5)16(22)13-10-14(24-18-13)12-6-7-12/h10,12H,6-9,11H2,1-5H3
InChIKeyVLEZSMXATFCPEU-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate

tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate (PubChem CID 60618706) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
PubChem CID60618706
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
SMILESCN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H27N3O4/c1-17(2,3)23-15(21)11-20(9-8-19(4)5)16(22)13-10-14(24-18-13)12-6-7-12/h10,12H,6-9,11H2,1-5H3
InChIKeyVLEZSMXATFCPEU-UHFFFAOYSA-N
XLogP1.90
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate (CID 60618706) is tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate is CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate?
The InChIKey is VLEZSMXATFCPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-17(2,3)23-15(21)11-20(9-8-19(4)5)16(22)13-10-14(24-18-13)12-6-7-12/h10,12H,6-9,11H2,1-5H3.
What are the key properties of tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate?
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate has a molecular weight of 337.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate is sourced from PubChem (CID 60618706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).