propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate

C19H23FN2O5 — CID 167282612

IUPACpropan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate
SMILESCC(C)OC(=O)C1CC(NC(=O)C2(C)CC(c3cccc(F)c3)=NO2)CO1
InChIInChI=1S/C19H23FN2O5/c1-11(2)26-17(23)16-8-14(10-25-16)21-18(24)19(3)9-15(22-27-19)12-5-4-6-13(20)7-12/h4-7,11,14,16H,8-10H2,1-3H3,(H,21,24)
InChIKeySWDQPXGEWATVOY-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.93
Rot. Bonds5

About propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate

propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate (PubChem CID 167282612) has the molecular formula C19H23FN2O5 and a molecular weight of 378.40 g/mol. Its IUPAC name is propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate
PubChem CID167282612
Molecular FormulaC19H23FN2O5
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Namepropan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate
SMILESCC(C)OC(=O)C1CC(NC(=O)C2(C)CC(c3cccc(F)c3)=NO2)CO1
InChIInChI=1S/C19H23FN2O5/c1-11(2)26-17(23)16-8-14(10-25-16)21-18(24)19(3)9-15(22-27-19)12-5-4-6-13(20)7-12/h4-7,11,14,16H,8-10H2,1-3H3,(H,21,24)
InChIKeySWDQPXGEWATVOY-UHFFFAOYSA-N
XLogP1.93
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate?
The IUPAC name of propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate (CID 167282612) is propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate?
The canonical SMILES for propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate is CC(C)OC(=O)C1CC(NC(=O)C2(C)CC(c3cccc(F)c3)=NO2)CO1.
What is the InChIKey of propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate?
The InChIKey is SWDQPXGEWATVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5/c1-11(2)26-17(23)16-8-14(10-25-16)21-18(24)19(3)9-15(22-27-19)12-5-4-6-13(20)7-12/h4-7,11,14,16H,8-10H2,1-3H3,(H,21,24).
What are the key properties of propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate?
propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]amino]oxolane-2-carboxylate is sourced from PubChem (CID 167282612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).