N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C18H23N3O2 — CID 91948768

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H23N3O2/c1-18(11-15(20-23-18)13-5-3-2-4-6-13)17(22)19-16-12-21-9-7-14(16)8-10-21/h2-6,14,16H,7-12H2,1H3,(H,19,22)
InChIKeyYMMYBETXZIQRQD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.78
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91948768) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID91948768
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NC2CN3CCC2CC3)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H23N3O2/c1-18(11-15(20-23-18)13-5-3-2-4-6-13)17(22)19-16-12-21-9-7-14(16)8-10-21/h2-6,14,16H,7-12H2,1H3,(H,19,22)
InChIKeyYMMYBETXZIQRQD-UHFFFAOYSA-N
XLogP1.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylpyrazole-1-carboxamide
CID 10085928
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 59923485
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465357
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 91948768) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NC2CN3CCC2CC3)CC(c2ccccc2)=NO1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YMMYBETXZIQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(11-15(20-23-18)13-5-3-2-4-6-13)17(22)19-16-12-21-9-7-14(16)8-10-21/h2-6,14,16H,7-12H2,1H3,(H,19,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91948768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).