[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

C10H13N3O2 — CID 166266987

IUPAC[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2C[C@H]3CC[C@H]3C2)o1
InChIInChI=1S/C10H13N3O2/c1-6-11-12-9(15-6)10(14)13-4-7-2-3-8(7)5-13/h7-8H,2-5H2,1H3/t7-,8+
InChIKeyHTBAZMFMXIXSNV-OCAPTIKFSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds1

About [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 166266987) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID166266987
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2C[C@H]3CC[C@H]3C2)o1
InChIInChI=1S/C10H13N3O2/c1-6-11-12-9(15-6)10(14)13-4-7-2-3-8(7)5-13/h7-8H,2-5H2,1H3/t7-,8+
InChIKeyHTBAZMFMXIXSNV-OCAPTIKFSA-N
XLogP0.86
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 169417252
2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
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[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
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[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 154798533
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
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4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
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(5-methyl-1,3,4-oxadiazol-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169166195
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110396106
1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110396012
2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
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[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (CID 166266987) is [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is Cc1nnc(C(=O)N2C[C@H]3CC[C@H]3C2)o1.
What is the InChIKey of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is HTBAZMFMXIXSNV-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-11-12-9(15-6)10(14)13-4-7-2-3-8(7)5-13/h7-8H,2-5H2,1H3/t7-,8+.
What are the key properties of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 166266987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).