methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

C23H20ClFN2O5 — CID 90620144

IUPACmethyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C23H20ClFN2O5/c1-13-20(21(26-32-13)15-7-3-4-8-16(15)24)22(28)27-12-14(11-18(27)23(29)30-2)31-19-10-6-5-9-17(19)25/h3-10,14,18H,11-12H2,1-2H3
InChIKeyISSBCFUXQHBEQR-UHFFFAOYSA-N
MW458.87 g/mol
LogP4.28
Rot. Bonds5

About methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate

methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (PubChem CID 90620144) has the molecular formula C23H20ClFN2O5 and a molecular weight of 458.87 g/mol. Its IUPAC name is methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
PubChem CID90620144
Molecular FormulaC23H20ClFN2O5
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC Namemethyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C23H20ClFN2O5/c1-13-20(21(26-32-13)15-7-3-4-8-16(15)24)22(28)27-12-14(11-18(27)23(29)30-2)31-19-10-6-5-9-17(19)25/h3-10,14,18H,11-12H2,1-2H3
InChIKeyISSBCFUXQHBEQR-UHFFFAOYSA-N
XLogP4.28
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.87
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl 1-(3-chlorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620290
methyl 1-(2-fluorobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620074
methyl 4-(2-fluorophenoxy)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 90620084
methyl 1-(4-bromobenzoyl)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 90620295
methyl 4-(2-fluorophenoxy)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylate
CID 90620312
methyl 4-(2-fluorophenoxy)-1-(quinoxaline-6-carbonyl)pyrrolidine-2-carboxylate
CID 90620301
1-O-tert-butyl 2-O-methyl (2S)-4-(2-fluorophenoxy)pyrrolidine-1,2-dicarboxylate
CID 163557195
(2S,4R)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(dimethylamino)pyrrolidine-2-carboxylic acid
CID 50978377
methyl (2S,4R)-4-(2-fluorophenoxy)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 99875073
methyl (2S,4S)-4-(2-fluorophenoxy)-1-(4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylate
CID 99875089
methyl 4-(2-fluorophenoxy)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carboxylate
CID 90620343
methyl 4-(2-fluorophenoxy)-1-[3-(4-fluorophenoxy)benzoyl]pyrrolidine-2-carboxylate
CID 90620215

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate (CID 90620144) is methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
The InChIKey is ISSBCFUXQHBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O5/c1-13-20(21(26-32-13)15-7-3-4-8-16(15)24)22(28)27-12-14(11-18(27)23(29)30-2)31-19-10-6-5-9-17(19)25/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate?
methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate has a molecular weight of 458.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(2-fluorophenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 90620144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).