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

C13H22N2O — CID 139565549

IUPAC4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole
SMILESCC[C@@H](C)c1nc([C@@H]2CCCNC2)oc1C
InChIInChI=1S/C13H22N2O/c1-4-9(2)12-10(3)16-13(15-12)11-6-5-7-14-8-11/h9,11,14H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyMXGZPYKSOKCPIS-MWLCHTKSSA-N
MW222.33 g/mol
LogP2.96
Rot. Bonds3

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

4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole (PubChem CID 139565549) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole
PubChem CID139565549
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole
SMILESCC[C@@H](C)c1nc([C@@H]2CCCNC2)oc1C
InChIInChI=1S/C13H22N2O/c1-4-9(2)12-10(3)16-13(15-12)11-6-5-7-14-8-11/h9,11,14H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyMXGZPYKSOKCPIS-MWLCHTKSSA-N
XLogP2.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115040989
5-methyl-2-piperidin-4-yl-4-propan-2-yl-1,3-oxazole
CID 105462175
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
2-(2-piperidin-3-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115082647
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
5,7-dimethyl-2-piperidin-3-yl-1,3-benzoxazole
CID 79016776
6-methyl-2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
CID 51673597
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911942
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole?
The IUPAC name of 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole (CID 139565549) is 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole is CC[C@@H](C)c1nc([C@@H]2CCCNC2)oc1C.
What is the InChIKey of 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole?
The InChIKey is MXGZPYKSOKCPIS-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9(2)12-10(3)16-13(15-12)11-6-5-7-14-8-11/h9,11,14H,4-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole?
4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole has a molecular weight of 222.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 139565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).