3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole

C12H15N3O2 — CID 95857102

IUPAC3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cnoc2[C@@H]2CCCNC2)on1
InChIInChI=1S/C12H15N3O2/c1-8-5-11(16-15-8)10-7-14-17-12(10)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyBGCOVJVUXOFBFM-SECBINFHSA-N
MW233.27 g/mol
LogP2.11
Rot. Bonds2

About 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole

3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole (PubChem CID 95857102) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
PubChem CID95857102
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cnoc2[C@@H]2CCCNC2)on1
InChIInChI=1S/C12H15N3O2/c1-8-5-11(16-15-8)10-7-14-17-12(10)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3/t9-/m1/s1
InChIKeyBGCOVJVUXOFBFM-SECBINFHSA-N
XLogP2.11
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
CID 95833537
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole (CID 95857102) is 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole is Cc1cc(-c2cnoc2[C@@H]2CCCNC2)on1.
What is the InChIKey of 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
The InChIKey is BGCOVJVUXOFBFM-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-5-11(16-15-8)10-7-14-17-12(10)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3/t9-/m1/s1.
What are the key properties of 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole has a molecular weight of 233.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 95857102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).