3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one

C16H21N3O3 — CID 155954398

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CC2)o1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C16H21N3O3/c20-13(4-3-12-17-18-16(22-12)8-1-2-8)19-7-10-5-9-6-11(10)14(19)15(9)21/h8-11,14-15,21H,1-7H2
InChIKeyQNSUBDOAHPCTJV-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.11
Rot. Bonds4

About 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one (PubChem CID 155954398) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one
PubChem CID155954398
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CC2)o1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C16H21N3O3/c20-13(4-3-12-17-18-16(22-12)8-1-2-8)19-7-10-5-9-6-11(10)14(19)15(9)21/h8-11,14-15,21H,1-7H2
InChIKeyQNSUBDOAHPCTJV-UHFFFAOYSA-N
XLogP1.11
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127471651
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
CID 45222622
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62718559
N-[4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-4-oxobutyl]thiophene-3-carboxamide
CID 119037829
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
CID 114247390
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6,6-dimethyl-5-propan-2-ylheptan-4-one
CID 58124233
N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
CID 114247391
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(5-methyl-1,3-oxazol-2-yl)propanamide
CID 167880755
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 75426751
2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one
CID 114247386
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one (CID 155954398) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one is O=C(CCc1nnc(C2CC2)o1)N1CC2CC3CC2C1C3O.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one?
The InChIKey is QNSUBDOAHPCTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-13(4-3-12-17-18-16(22-12)8-1-2-8)19-7-10-5-9-6-11(10)14(19)15(9)21/h8-11,14-15,21H,1-7H2.
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one has a molecular weight of 303.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)propan-1-one is sourced from PubChem (CID 155954398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).