N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C24H24ClN3O3 — CID 129459888

IUPACN-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c25-19-11-9-17(10-12-19)14-20-15-27-24(31-20)21-8-4-5-13-28(21)22(29)16-26-23(30)18-6-2-1-3-7-18/h1-3,6-7,9-12,15,21H,4-5,8,13-14,16H2,(H,26,30)/t21-/m0/s1
InChIKeyZBPGNXXYXOKBLL-NRFANRHFSA-N
MW437.93 g/mol
LogP4.40
Rot. Bonds6

About N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 129459888) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID129459888
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C24H24ClN3O3/c25-19-11-9-17(10-12-19)14-20-15-27-24(31-20)21-8-4-5-13-28(21)22(29)16-26-23(30)18-6-2-1-3-7-18/h1-3,6-7,9-12,15,21H,4-5,8,13-14,16H2,(H,26,30)/t21-/m0/s1
InChIKeyZBPGNXXYXOKBLL-NRFANRHFSA-N
XLogP4.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 129459888) is N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ZBPGNXXYXOKBLL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-11-9-17(10-12-19)14-20-15-27-24(31-20)21-8-4-5-13-28(21)22(29)16-26-23(30)18-6-2-1-3-7-18/h1-3,6-7,9-12,15,21H,4-5,8,13-14,16H2,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 129459888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).