5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole

C10H14N2O — CID 44577578

IUPAC5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2C[C@H]3CC[C@H]2N3)on1
InChIInChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
InChIKeyGEEFPQBPVBFCSD-IWSPIJDZSA-N
MW178.23 g/mol
LogP1.59
Rot. Bonds1

About 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole

5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole (PubChem CID 44577578) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole
PubChem CID44577578
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2C[C@H]3CC[C@H]2N3)on1
InChIInChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
InChIKeyGEEFPQBPVBFCSD-IWSPIJDZSA-N
XLogP1.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole (CID 44577578) is 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole is Cc1cc([C@@H]2C[C@H]3CC[C@H]2N3)on1.
What is the InChIKey of 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is GEEFPQBPVBFCSD-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole?
5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 178.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 44577578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).