1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide

C27H33ClN4O2 — CID 3241992

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-3-32(24-10-5-4-6-11-24)17-14-29-26(33)21-12-15-31(16-13-21)19-25-20(2)34-27(30-25)22-8-7-9-23(28)18-22/h4-11,18,21H,3,12-17,19H2,1-2H3,(H,29,33)
InChIKeyIUIWEVQPPHYHKU-UHFFFAOYSA-N
MW481.04 g/mol
LogP5.16
Rot. Bonds9

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 3241992) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
PubChem CID3241992
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-3-32(24-10-5-4-6-11-24)17-14-29-26(33)21-12-15-31(16-13-21)19-25-20(2)34-27(30-25)22-8-7-9-23(28)18-22/h4-11,18,21H,3,12-17,19H2,1-2H3,(H,29,33)
InChIKeyIUIWEVQPPHYHKU-UHFFFAOYSA-N
XLogP5.16
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide (CID 3241992) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide is CCN(CCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is IUIWEVQPPHYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c1-3-32(24-10-5-4-6-11-24)17-14-29-26(33)21-12-15-31(16-13-21)19-25-20(2)34-27(30-25)22-8-7-9-23(28)18-22/h4-11,18,21H,3,12-17,19H2,1-2H3,(H,29,33).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 481.04 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3241992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).