3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine

C15H17N3O — CID 155499262

IUPAC3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine
SMILESc1cncc(-c2nccn2C[C@@H]2C[C@@H]3CC[C@H]2O3)c1
InChIInChI=1S/C15H17N3O/c1-2-11(9-16-5-1)15-17-6-7-18(15)10-12-8-13-3-4-14(12)19-13/h1-2,5-7,9,12-14H,3-4,8,10H2/t12-,13-,14+/m0/s1
InChIKeyRJWJOSHCPNSWQW-MELADBBJSA-N
MW255.32 g/mol
LogP2.51
Rot. Bonds3

About 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine

3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine (PubChem CID 155499262) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine
PubChem CID155499262
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine
SMILESc1cncc(-c2nccn2C[C@@H]2C[C@@H]3CC[C@H]2O3)c1
InChIInChI=1S/C15H17N3O/c1-2-11(9-16-5-1)15-17-6-7-18(15)10-12-8-13-3-4-14(12)19-13/h1-2,5-7,9,12-14H,3-4,8,10H2/t12-,13-,14+/m0/s1
InChIKeyRJWJOSHCPNSWQW-MELADBBJSA-N
XLogP2.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine (CID 155499262) is 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine is c1cncc(-c2nccn2C[C@@H]2C[C@@H]3CC[C@H]2O3)c1.
What is the InChIKey of 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine?
The InChIKey is RJWJOSHCPNSWQW-MELADBBJSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-11(9-16-5-1)15-17-6-7-18(15)10-12-8-13-3-4-14(12)19-13/h1-2,5-7,9,12-14H,3-4,8,10H2/t12-,13-,14+/m0/s1.
What are the key properties of 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine?
3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine has a molecular weight of 255.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 155499262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).