N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide

C18H21N3O2 — CID 167815020

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc(-c3cnco3)cc1)C2
InChIInChI=1S/C18H21N3O2/c1-21-15-6-7-16(21)9-14(8-15)20-18(22)13-4-2-12(3-5-13)17-10-19-11-23-17/h2-5,10-11,14-16H,6-9H2,1H3,(H,20,22)
InChIKeyZMRNQKUPLXRFCD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 167815020) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide
PubChem CID167815020
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCN1C2CCC1CC(NC(=O)c1ccc(-c3cnco3)cc1)C2
InChIInChI=1S/C18H21N3O2/c1-21-15-6-7-16(21)9-14(8-15)20-18(22)13-4-2-12(3-5-13)17-10-19-11-23-17/h2-5,10-11,14-16H,6-9H2,1H3,(H,20,22)
InChIKeyZMRNQKUPLXRFCD-UHFFFAOYSA-N
XLogP2.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131949418
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
CID 141223965
4-[(4-chloropyrazol-1-yl)methyl]-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 51391452
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
4-(1,3-oxazol-5-yl)-N-prop-2-ynylbenzamide
CID 47262158
5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471648
N-[2-(methylamino)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 120826619
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 67273746
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 91394528

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide (CID 167815020) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide is CN1C2CCC1CC(NC(=O)c1ccc(-c3cnco3)cc1)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is ZMRNQKUPLXRFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-15-6-7-16(21)9-14(8-15)20-18(22)13-4-2-12(3-5-13)17-10-19-11-23-17/h2-5,10-11,14-16H,6-9H2,1H3,(H,20,22).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 167815020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).