ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate

C17H20FN3O4 — CID 49435954

IUPACethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1cc(C)on1)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c1-3-24-17(23)11-21(9-13-4-6-14(18)7-5-13)10-16(22)19-15-8-12(2)25-20-15/h4-8H,3,9-11H2,1-2H3,(H,19,20,22)
InChIKeyCPGHTBHIDZPMCM-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate

ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate (PubChem CID 49435954) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
PubChem CID49435954
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Nameethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)Nc1cc(C)on1)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c1-3-24-17(23)11-21(9-13-4-6-14(18)7-5-13)10-16(22)19-15-8-12(2)25-20-15/h4-8H,3,9-11H2,1-2H3,(H,19,20,22)
InChIKeyCPGHTBHIDZPMCM-UHFFFAOYSA-N
XLogP2.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate with MolForge

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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
ethyl 2-[(4-fluorophenyl)methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]acetate
CID 49435772
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46477484
ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
CID 78978554
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
ethyl 2-[[3-(4-acetylanilino)-3-oxopropyl]-[(4-fluorophenyl)methyl]amino]acetate
CID 56526071
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2429318
N-ethyl-2,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 808504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate (CID 49435954) is ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)Nc1cc(C)on1)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is CPGHTBHIDZPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-3-24-17(23)11-21(9-13-4-6-14(18)7-5-13)10-16(22)19-15-8-12(2)25-20-15/h4-8H,3,9-11H2,1-2H3,(H,19,20,22).
What are the key properties of ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate?
ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 349.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 49435954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).