ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate

C11H16N2O4 — CID 54896874

IUPACethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccno1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)7-13(8(2)3)11(15)9-5-6-12-17-9/h5-6,8H,4,7H2,1-3H3
InChIKeyLZHVGELTUVGTGP-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.09
Rot. Bonds5

About ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate

ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate (PubChem CID 54896874) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
PubChem CID54896874
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccno1)C(C)C
InChIInChI=1S/C11H16N2O4/c1-4-16-10(14)7-13(8(2)3)11(15)9-5-6-12-17-9/h5-6,8H,4,7H2,1-3H3
InChIKeyLZHVGELTUVGTGP-UHFFFAOYSA-N
XLogP1.09
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl(1,2-oxazole-5-carbonyl)amino]acetate
CID 55005865
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 59598853
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
ethyl 2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 79208593
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate (CID 54896874) is ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)c1ccno1)C(C)C.
What is the InChIKey of ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is LZHVGELTUVGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-10(14)7-13(8(2)3)11(15)9-5-6-12-17-9/h5-6,8H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate?
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 240.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 54896874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).