N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide

C23H23N3O3 — CID 146220690

IUPACN-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)cc1
InChIInChI=1S/C23H23N3O3/c1-24-22(27)19-9-7-18(8-10-19)21-15-20(25-29-21)23(28)26-13-11-17(12-14-26)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,24,27)
InChIKeyWYEULJJLHMNLKA-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.72
Rot. Bonds4

About N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide

N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 146220690) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
PubChem CID146220690
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)cc1
InChIInChI=1S/C23H23N3O3/c1-24-22(27)19-9-7-18(8-10-19)21-15-20(25-29-21)23(28)26-13-11-17(12-14-26)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,24,27)
InChIKeyWYEULJJLHMNLKA-UHFFFAOYSA-N
XLogP3.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide (CID 146220690) is N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide is CNC(=O)c1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)cc1.
What is the InChIKey of N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is WYEULJJLHMNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-24-22(27)19-9-7-18(8-10-19)21-15-20(25-29-21)23(28)26-13-11-17(12-14-26)16-5-3-2-4-6-16/h2-10,15,17H,11-14H2,1H3,(H,24,27).
What are the key properties of N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 146220690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).