N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide

C18H21N3O3S — CID 22573515

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCOc1cnc(Sc2ccc(C(=O)NC3CC4CCN(C4)C3)cc2)o1
InChIInChI=1S/C18H21N3O3S/c1-23-16-9-19-18(24-16)25-15-4-2-13(3-5-15)17(22)20-14-8-12-6-7-21(10-12)11-14/h2-5,9,12,14H,6-8,10-11H2,1H3,(H,20,22)
InChIKeyJXCILDJMFSVFAA-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.66
Rot. Bonds5

About N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 22573515) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID22573515
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCOc1cnc(Sc2ccc(C(=O)NC3CC4CCN(C4)C3)cc2)o1
InChIInChI=1S/C18H21N3O3S/c1-23-16-9-19-18(24-16)25-15-4-2-13(3-5-15)17(22)20-14-8-12-6-7-21(10-12)11-14/h2-5,9,12,14H,6-8,10-11H2,1H3,(H,20,22)
InChIKeyJXCILDJMFSVFAA-UHFFFAOYSA-N
XLogP2.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide with MolForge

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-phenylsulfanylbenzamide
CID 22573759
4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(4-methylfuran-2-yl)oxybenzamide
CID 22573755
N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(1,3-thiazol-5-ylsulfanyl)benzamide
CID 22573621
3-[4-(1-azabicyclo[3.2.2]nonan-3-ylcarbamoyl)phenyl]sulfanylbenzamide
CID 22573271
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
CID 22350688
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-[(2-methoxy-1H-imidazol-5-yl)sulfanyl]benzamide
CID 10291907
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 22573515) is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide is COc1cnc(Sc2ccc(C(=O)NC3CC4CCN(C4)C3)cc2)o1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is JXCILDJMFSVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-23-16-9-19-18(24-16)25-15-4-2-13(3-5-15)17(22)20-14-8-12-6-7-21(10-12)11-14/h2-5,9,12,14H,6-8,10-11H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-[(5-methoxy-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 22573515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).