(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C24H24ClFN4O4 — CID 68805979

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCc1ncoc1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H24ClFN4O4/c1-3-19-22(34-13-27-19)14-4-9-20(18(26)10-14)29-23(31)21-11-17(33-2)12-30(21)24(32)28-16-7-5-15(25)6-8-16/h4-10,13,17,21H,3,11-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1
InChIKeyAENWDXMWOHASFG-DYESRHJHSA-N
MW486.93 g/mol
LogP4.96
Rot. Bonds6

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68805979) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68805979
Molecular FormulaC24H24ClFN4O4
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCc1ncoc1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H24ClFN4O4/c1-3-19-22(34-13-27-19)14-4-9-20(18(26)10-14)29-23(31)21-11-17(33-2)12-30(21)24(32)28-16-7-5-15(25)6-8-16/h4-10,13,17,21H,3,11-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1
InChIKeyAENWDXMWOHASFG-DYESRHJHSA-N
XLogP4.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (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) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CCc1ncoc1-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-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is AENWDXMWOHASFG-DYESRHJHSA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c1-3-19-22(34-13-27-19)14-4-9-20(18(26)10-14)29-23(31)21-11-17(33-2)12-30(21)24(32)28-16-7-5-15(25)6-8-16/h4-10,13,17,21H,3,11-12H2,1-2H3,(H,28,32)(H,29,31)/t17-,21-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 486.93 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(4-ethyl-1,3-oxazol-5-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68805979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).