5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

C23H24ClN3O2 — CID 46952038

IUPAC5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1
InChIInChI=1S/C23H24ClN3O2/c1-16-9-11-27(12-10-16)15-17-3-2-4-20(13-17)25-23(28)21-14-22(29-26-21)18-5-7-19(24)8-6-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,28)
InChIKeyBGNBXOITJDKOCG-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.48
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 46952038) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID46952038
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1
InChIInChI=1S/C23H24ClN3O2/c1-16-9-11-27(12-10-16)15-17-3-2-4-20(13-17)25-23(28)21-14-22(29-26-21)18-5-7-19(24)8-6-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,28)
InChIKeyBGNBXOITJDKOCG-UHFFFAOYSA-N
XLogP5.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
5-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 75521128
1-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 58824770
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 56554888
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide (CID 46952038) is 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is CC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BGNBXOITJDKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-16-9-11-27(12-10-16)15-17-3-2-4-20(13-17)25-23(28)21-14-22(29-26-21)18-5-7-19(24)8-6-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46952038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).