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

C17H21N3O2 — CID 33106364

IUPACN-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-13-11-16(19-22-13)12-20-9-7-15(8-10-20)18-17(21)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,21)
InChIKeyFIIXTXSPUWZTMZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.38
Rot. Bonds4

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

N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 33106364) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
PubChem CID33106364
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)no1
InChIInChI=1S/C17H21N3O2/c1-13-11-16(19-22-13)12-20-9-7-15(8-10-20)18-17(21)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,21)
InChIKeyFIIXTXSPUWZTMZ-UHFFFAOYSA-N
XLogP2.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 108559387
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
CID 43049757
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
CID 110646405
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154580808
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide (CID 33106364) is N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide is Cc1cc(CN2CCC(NC(=O)c3ccccc3)CC2)no1.
What is the InChIKey of N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is FIIXTXSPUWZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-11-16(19-22-13)12-20-9-7-15(8-10-20)18-17(21)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,21).
What are the key properties of N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33106364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).