N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide

C24H22Cl2FN3O3 — CID 55603823

IUPACN-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C24H22Cl2FN3O3/c25-17-9-8-15(13-18(17)26)29-24(32)20-7-3-4-12-30(20)23(31)11-10-22-28-14-21(33-22)16-5-1-2-6-19(16)27/h1-2,5-6,8-9,13-14,20H,3-4,7,10-12H2,(H,29,32)
InChIKeyGPQKXDVORUFUGI-UHFFFAOYSA-N
MW490.36 g/mol
LogP5.74
Rot. Bonds6

About N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide (PubChem CID 55603823) has the molecular formula C24H22Cl2FN3O3 and a molecular weight of 490.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
PubChem CID55603823
Molecular FormulaC24H22Cl2FN3O3
Molecular Weight490.36 g/mol
Exact Mass489.10
IUPAC NameN-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C24H22Cl2FN3O3/c25-17-9-8-15(13-18(17)26)29-24(32)20-7-3-4-12-30(20)23(31)11-10-22-28-14-21(33-22)16-5-1-2-6-19(16)27/h1-2,5-6,8-9,13-14,20H,3-4,7,10-12H2,(H,29,32)
InChIKeyGPQKXDVORUFUGI-UHFFFAOYSA-N
XLogP5.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.36
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide (CID 55603823) is N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide?
The InChIKey is GPQKXDVORUFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O3/c25-17-9-8-15(13-18(17)26)29-24(32)20-7-3-4-12-30(20)23(31)11-10-22-28-14-21(33-22)16-5-1-2-6-19(16)27/h1-2,5-6,8-9,13-14,20H,3-4,7,10-12H2,(H,29,32).
What are the key properties of N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide has a molecular weight of 490.36 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 55603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).