5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C14H22N4O2 — CID 99801754

IUPAC5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc([C@H]2CCCN2C[C@@H]2CCC=CO2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)14-15-13(20-16-14)12-7-5-8-18(12)10-11-6-3-4-9-19-11/h4,9,11-12H,3,5-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyFQVBKBXGCOUVMQ-NWDGAFQWSA-N
MW278.36 g/mol
LogP1.97
Rot. Bonds4

About 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 99801754) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID99801754
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc([C@H]2CCCN2C[C@@H]2CCC=CO2)n1
InChIInChI=1S/C14H22N4O2/c1-17(2)14-15-13(20-16-14)12-7-5-8-18(12)10-11-6-3-4-9-19-11/h4,9,11-12H,3,5-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyFQVBKBXGCOUVMQ-NWDGAFQWSA-N
XLogP1.97
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 99801754) is 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc([C@H]2CCCN2C[C@@H]2CCC=CO2)n1.
What is the InChIKey of 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is FQVBKBXGCOUVMQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(2)14-15-13(20-16-14)12-7-5-8-18(12)10-11-6-3-4-9-19-11/h4,9,11-12H,3,5-8,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 278.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 99801754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).