[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C18H21FN2O4S — CID 7630632

IUPAC[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)on1
InChIInChI=1S/C18H21FN2O4S/c1-18(2,3)14-10-16(25-21-14)20-15(22)11-24-17(23)8-9-26-13-6-4-12(19)5-7-13/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyJJUIILOVFCETHQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.78
Rot. Bonds7

About [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7630632) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7630632
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)on1
InChIInChI=1S/C18H21FN2O4S/c1-18(2,3)14-10-16(25-21-14)20-15(22)11-24-17(23)8-9-26-13-6-4-12(19)5-7-13/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyJJUIILOVFCETHQ-UHFFFAOYSA-N
XLogP3.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8856195
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 42976650
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
2-(4-aminophenyl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299010
(2-anilino-2-oxoethyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651113
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7644829
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605262
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7972411
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7762079
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651131
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650866
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7630632) is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is CC(C)(C)c1cc(NC(=O)COC(=O)CCSc2ccc(F)cc2)on1.
What is the InChIKey of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is JJUIILOVFCETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-18(2,3)14-10-16(25-21-14)20-15(22)11-24-17(23)8-9-26-13-6-4-12(19)5-7-13/h4-7,10H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 380.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7630632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).