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

C25H36ClN5O2 — CID 5307943

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1
InChIInChI=1S/C25H36ClN5O2/c1-3-29-12-14-30(15-13-29)11-9-27-24(32)21-7-5-10-31(17-21)18-23-19(2)33-25(28-23)20-6-4-8-22(26)16-20/h4,6,8,16,21H,3,5,7,9-15,17-18H2,1-2H3,(H,27,32)
InChIKeyDXVPHBVDYDTOPH-UHFFFAOYSA-N
MW474.05 g/mol
LogP3.27
Rot. Bonds8

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

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 5307943) has the molecular formula C25H36ClN5O2 and a molecular weight of 474.05 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID5307943
Molecular FormulaC25H36ClN5O2
Molecular Weight474.05 g/mol
Exact Mass473.26
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1
InChIInChI=1S/C25H36ClN5O2/c1-3-29-12-14-30(15-13-29)11-9-27-24(32)21-7-5-10-31(17-21)18-23-19(2)33-25(28-23)20-6-4-8-22(26)16-20/h4,6,8,16,21H,3,5,7,9-15,17-18H2,1-2H3,(H,27,32)
InChIKeyDXVPHBVDYDTOPH-UHFFFAOYSA-N
XLogP3.27
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.05
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (CID 5307943) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is CCN1CCN(CCNC(=O)C2CCCN(Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is DXVPHBVDYDTOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN5O2/c1-3-29-12-14-30(15-13-29)11-9-27-24(32)21-7-5-10-31(17-21)18-23-19(2)33-25(28-23)20-6-4-8-22(26)16-20/h4,6,8,16,21H,3,5,7,9-15,17-18H2,1-2H3,(H,27,32).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 474.05 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 5307943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).