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

C23H23N3O3 — CID 146230148

IUPACN-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)c1
InChIInChI=1S/C23H23N3O3/c1-24-22(27)19-9-5-8-18(14-19)21-15-20(25-29-21)23(28)26-12-10-17(11-13-26)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,27)
InChIKeyLLJXJLNKWOWDJO-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.72
Rot. Bonds4

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

N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 146230148) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
PubChem CID146230148
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)c1
InChIInChI=1S/C23H23N3O3/c1-24-22(27)19-9-5-8-18(14-19)21-15-20(25-29-21)23(28)26-12-10-17(11-13-26)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,27)
InChIKeyLLJXJLNKWOWDJO-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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Related Compounds

[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 22427451
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558
(5-phenyl-1,2-oxazol-3-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70706302
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 146230021
2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710651
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide (CID 146230148) is N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide is CNC(=O)c1cccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)c1.
What is the InChIKey of N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is LLJXJLNKWOWDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-24-22(27)19-9-5-8-18(14-19)21-15-20(25-29-21)23(28)26-12-10-17(11-13-26)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,27).
What are the key properties of N-methyl-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide?
N-methyl-3-[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-3-[3-(4-phenylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 146230148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).