N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide

C24H23Cl2N3O3 — CID 55965663

IUPACN-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H23Cl2N3O3/c25-17-12-18(26)14-19(13-17)28-24(31)20-8-5-11-29(20)23(30)10-4-9-22-27-15-21(32-22)16-6-2-1-3-7-16/h1-3,6-7,12-15,20H,4-5,8-11H2,(H,28,31)
InChIKeyIHYIDWIDLBRCDL-UHFFFAOYSA-N
MW472.37 g/mol
LogP5.60
Rot. Bonds7

About N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 55965663) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
PubChem CID55965663
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC NameN-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H23Cl2N3O3/c25-17-12-18(26)14-19(13-17)28-24(31)20-8-5-11-29(20)23(30)10-4-9-22-27-15-21(32-22)16-6-2-1-3-7-16/h1-3,6-7,12-15,20H,4-5,8-11H2,(H,28,31)
InChIKeyIHYIDWIDLBRCDL-UHFFFAOYSA-N
XLogP5.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide (CID 55965663) is N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is IHYIDWIDLBRCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c25-17-12-18(26)14-19(13-17)28-24(31)20-8-5-11-29(20)23(30)10-4-9-22-27-15-21(32-22)16-6-2-1-3-7-16/h1-3,6-7,12-15,20H,4-5,8-11H2,(H,28,31).
What are the key properties of N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 472.37 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55965663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).