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

C15H25N3O2 — CID 134698148

IUPAC5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(C2CCNCC2)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C15H25N3O2/c1-11-7-14(20-17-11)8-12-9-18(10-15(12)19-2)13-3-5-16-6-4-13/h7,12-13,15-16H,3-6,8-10H2,1-2H3/t12-,15+/m1/s1
InChIKeySZZYBFDSSOEXEC-DOMZBBRYSA-N
MW279.38 g/mol
LogP1.22
Rot. Bonds4

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

5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 134698148) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID134698148
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(C2CCNCC2)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C15H25N3O2/c1-11-7-14(20-17-11)8-12-9-18(10-15(12)19-2)13-3-5-16-6-4-13/h7,12-13,15-16H,3-6,8-10H2,1-2H3/t12-,15+/m1/s1
InChIKeySZZYBFDSSOEXEC-DOMZBBRYSA-N
XLogP1.22
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (CID 134698148) is 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is CO[C@H]1CN(C2CCNCC2)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is SZZYBFDSSOEXEC-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-7-14(20-17-11)8-12-9-18(10-15(12)19-2)13-3-5-16-6-4-13/h7,12-13,15-16H,3-6,8-10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 134698148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).