3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole

C14H20N4O2 — CID 95766253

IUPAC3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2Cc2c(C)noc2C)no1
InChIInChI=1S/C14H20N4O2/c1-4-13-15-14(17-20-13)12-6-5-7-18(12)8-11-9(2)16-19-10(11)3/h12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyXOFDGZAYLALKEW-LBPRGKRZSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds4

About 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole

3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 95766253) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
PubChem CID95766253
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2Cc2c(C)noc2C)no1
InChIInChI=1S/C14H20N4O2/c1-4-13-15-14(17-20-13)12-6-5-7-18(12)8-11-9(2)16-19-10(11)3/h12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyXOFDGZAYLALKEW-LBPRGKRZSA-N
XLogP2.57
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole (CID 95766253) is 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole is CCc1nc([C@@H]2CCCN2Cc2c(C)noc2C)no1.
What is the InChIKey of 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is XOFDGZAYLALKEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-13-15-14(17-20-13)12-6-5-7-18(12)8-11-9(2)16-19-10(11)3/h12H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole?
3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 95766253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).