3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole

C15H25N3O — CID 63256393

IUPAC3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C15H25N3O/c1-11-13(12(2)19-17-11)10-18-9-4-3-7-15(18)14-6-5-8-16-14/h14-16H,3-10H2,1-2H3
InChIKeyDDFSDYFPDQJJRZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds3

About 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole (PubChem CID 63256393) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
PubChem CID63256393
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCCC1C1CCCN1
InChIInChI=1S/C15H25N3O/c1-11-13(12(2)19-17-11)10-18-9-4-3-7-15(18)14-6-5-8-16-14/h14-16H,3-10H2,1-2H3
InChIKeyDDFSDYFPDQJJRZ-UHFFFAOYSA-N
XLogP2.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 63256689
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544103
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256578
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66118178
3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129487442
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176273
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 94616382

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole (CID 63256393) is 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCCCC1C1CCCN1.
What is the InChIKey of 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is DDFSDYFPDQJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-13(12(2)19-17-11)10-18-9-4-3-7-15(18)14-6-5-8-16-14/h14-16H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 263.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 63256393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).