N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide

C18H21N3O3 — CID 47085209

IUPACN,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(22)15-4-3-9-21(11-15)18(23)14-7-5-13(6-8-14)16-10-19-12-24-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3
InChIKeyKGTSYMDXKNXXRH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.28
Rot. Bonds3

About N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide

N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 47085209) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
PubChem CID47085209
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(22)15-4-3-9-21(11-15)18(23)14-7-5-13(6-8-14)16-10-19-12-24-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3
InChIKeyKGTSYMDXKNXXRH-UHFFFAOYSA-N
XLogP2.28
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
[4-(1,3-oxazol-5-yl)phenyl]-(2-phenyl-1,4-oxazepan-4-yl)methanone
CID 138998156
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 72864460
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 119067015
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
[(5aS,8aS)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 95770737
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 95605719
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide (CID 47085209) is N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide is CN(C)C(=O)C1CCCN(C(=O)c2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is KGTSYMDXKNXXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(2)17(22)15-4-3-9-21(11-15)18(23)14-7-5-13(6-8-14)16-10-19-12-24-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 47085209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).