(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C24H24ClFN4O5 — CID 68805396

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOCc1ncoc1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H24ClFN4O5/c1-33-12-20-22(35-13-27-20)14-3-8-19(18(26)9-14)29-23(31)21-10-17(34-2)11-30(21)24(32)28-16-6-4-15(25)5-7-16/h3-9,13,17,21H,10-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1
InChIKeyYILROUNTGGSJJG-DYESRHJHSA-N
MW502.93 g/mol
LogP4.54
Rot. Bonds7

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68805396) has the molecular formula C24H24ClFN4O5 and a molecular weight of 502.93 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68805396
Molecular FormulaC24H24ClFN4O5
Molecular Weight502.93 g/mol
Exact Mass502.14
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOCc1ncoc1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H24ClFN4O5/c1-33-12-20-22(35-13-27-20)14-3-8-19(18(26)9-14)29-23(31)21-10-17(34-2)11-30(21)24(32)28-16-6-4-15(25)5-7-16/h3-9,13,17,21H,10-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1
InChIKeyYILROUNTGGSJJG-DYESRHJHSA-N
XLogP4.54
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.93
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

5-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-oxazole-4-carboxylic acid
CID 44441232
US10421742, Example 24
CID 135211514
5-[4-[[1-[(4-Chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylic acid
CID 22181600
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68805979
Ethyl 5-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 68806769
ethyl 5-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 68806772
Ethyl 5-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 68806804
ethyl 5-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylate
CID 68806807
5-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazole-4-carboxylic acid
CID 68807776
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-propan-2-yl-1,3-oxazol-5-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808131
[5-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazol-4-yl] hydrogen carbonate
CID 69543952
[5-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,3-oxazol-4-yl] ethyl carbonate
CID 69543987

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68805396) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is COCc1ncoc1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is YILROUNTGGSJJG-DYESRHJHSA-N. The full InChI is InChI=1S/C24H24ClFN4O5/c1-33-12-20-22(35-13-27-20)14-3-8-19(18(26)9-14)29-23(31)21-10-17(34-2)11-30(21)24(32)28-16-6-4-15(25)5-7-16/h3-9,13,17,21H,10-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 502.93 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-[4-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68805396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).