N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide

C20H25N3O2 — CID 66884185

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide
SMILESCc1cccc(C=C2CCN(C(=O)Nc3onc(C)c3C)CC2C)c1
InChIInChI=1S/C20H25N3O2/c1-13-6-5-7-17(10-13)11-18-8-9-23(12-14(18)2)20(24)21-19-15(3)16(4)22-25-19/h5-7,10-11,14H,8-9,12H2,1-4H3,(H,21,24)
InChIKeyRYQKTLJYGJIBOZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.56
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide (PubChem CID 66884185) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide
PubChem CID66884185
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide
SMILESCc1cccc(C=C2CCN(C(=O)Nc3onc(C)c3C)CC2C)c1
InChIInChI=1S/C20H25N3O2/c1-13-6-5-7-17(10-13)11-18-8-9-23(12-14(18)2)20(24)21-19-15(3)16(4)22-25-19/h5-7,10-11,14H,8-9,12H2,1-4H3,(H,21,24)
InChIKeyRYQKTLJYGJIBOZ-UHFFFAOYSA-N
XLogP4.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(4,4-dimethylcyclohexyl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66885241
(4E)-4-[[3-(4,4-dimethylcyclohexyl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66885240
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66885362
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66884616
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66883787
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66885660
4-[(3-fluorophenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66883815
4-[[3-(4,4-difluorocyclohexyl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)piperidine-1-carboxamide
CID 66885518
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66883851
(4E)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[[3-[2-(3-methoxyphenyl)ethoxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66884820
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411
(4E)-4-[(3-chloro-5-methylphenyl)methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66884160

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide (CID 66884185) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide is Cc1cccc(C=C2CCN(C(=O)Nc3onc(C)c3C)CC2C)c1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide?
The InChIKey is RYQKTLJYGJIBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-6-5-7-17(10-13)11-18-8-9-23(12-14(18)2)20(24)21-19-15(3)16(4)22-25-19/h5-7,10-11,14H,8-9,12H2,1-4H3,(H,21,24).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-[(3-methylphenyl)methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66884185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).