[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H18FN3O5 — CID 42490887

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FN3O5/c1-24-10-2-3-15(24)20(27)23-17(25)12-28-19(26)9-8-18-22-11-16(29-18)13-4-6-14(21)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,23,25,27)
InChIKeyIUHXEBDXGXUSGO-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.25
Rot. Bonds7

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 42490887) has the molecular formula C20H18FN3O5 and a molecular weight of 399.38 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID42490887
Molecular FormulaC20H18FN3O5
Molecular Weight399.38 g/mol
Exact Mass399.12
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FN3O5/c1-24-10-2-3-15(24)20(27)23-17(25)12-28-19(26)9-8-18-22-11-16(29-18)13-4-6-14(21)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,23,25,27)
InChIKeyIUHXEBDXGXUSGO-UHFFFAOYSA-N
XLogP2.25
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490524
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42491257
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695183
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579827
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 42295659

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 42490887) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is Cn1cccc1C(=O)NC(=O)COC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is IUHXEBDXGXUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5/c1-24-10-2-3-15(24)20(27)23-17(25)12-28-19(26)9-8-18-22-11-16(29-18)13-4-6-14(21)7-5-13/h2-7,10-11H,8-9,12H2,1H3,(H,23,25,27).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 399.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 42490887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).