ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate

C14H21N3O4 — CID 78978554

IUPACethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
SMILESC=CCN(CCC(=O)Nc1cc(C)on1)CC(=O)OCC
InChIInChI=1S/C14H21N3O4/c1-4-7-17(10-14(19)20-5-2)8-6-13(18)15-12-9-11(3)21-16-12/h4,9H,1,5-8,10H2,2-3H3,(H,15,16,18)
InChIKeyYGEOAWZTQCQAFB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.36
Rot. Bonds9

About ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate

ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate (PubChem CID 78978554) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
PubChem CID78978554
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
SMILESC=CCN(CCC(=O)Nc1cc(C)on1)CC(=O)OCC
InChIInChI=1S/C14H21N3O4/c1-4-7-17(10-14(19)20-5-2)8-6-13(18)15-12-9-11(3)21-16-12/h4,9H,1,5-8,10H2,2-3H3,(H,15,16,18)
InChIKeyYGEOAWZTQCQAFB-UHFFFAOYSA-N
XLogP1.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977781
3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113115709
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4616353
2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 49435954
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
2,2-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylacetamide
CID 42770232
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 42770234

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate (CID 78978554) is ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate is C=CCN(CCC(=O)Nc1cc(C)on1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate?
The InChIKey is YGEOAWZTQCQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-7-17(10-14(19)20-5-2)8-6-13(18)15-12-9-11(3)21-16-12/h4,9H,1,5-8,10H2,2-3H3,(H,15,16,18).
What are the key properties of ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate?
ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate has a molecular weight of 295.34 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78978554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).