5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole

C13H21N3O — CID 115040989

IUPAC5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
SMILESCc1oc(C2CCCNC2)nc1C1CCCN1
InChIInChI=1S/C13H21N3O/c1-9-12(11-5-3-7-15-11)16-13(17-9)10-4-2-6-14-8-10/h10-11,14-15H,2-8H2,1H3
InChIKeyILJNLHVAPHYAHC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole

5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 115040989) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
PubChem CID115040989
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
SMILESCc1oc(C2CCCNC2)nc1C1CCCN1
InChIInChI=1S/C13H21N3O/c1-9-12(11-5-3-7-15-11)16-13(17-9)10-4-2-6-14-8-10/h10-11,14-15H,2-8H2,1H3
InChIKeyILJNLHVAPHYAHC-UHFFFAOYSA-N
XLogP1.87
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-methyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115019146
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
4-[(2R)-butan-2-yl]-5-methyl-2-[(3R)-piperidin-3-yl]-1,3-oxazole
CID 139565549
2-(5-methyl-4-pyrrolidin-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115026802
2-(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)morpholine
CID 105461830
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-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
2-(5-methyl-4-piperidin-2-yl-1,3-oxazol-2-yl)ethanol
CID 115026947
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
2-(azetidin-3-yl)-5-methyl-4-piperidin-2-yl-1,3-thiazole
CID 115042260
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole (CID 115040989) is 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole is Cc1oc(C2CCCNC2)nc1C1CCCN1.
What is the InChIKey of 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is ILJNLHVAPHYAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-12(11-5-3-7-15-11)16-13(17-9)10-4-2-6-14-8-10/h10-11,14-15H,2-8H2,1H3.
What are the key properties of 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole?
5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 235.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 115040989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).