2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

C13H20N4O2 — CID 97065549

IUPAC2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCCO[C@@H](C)c1nccn1Cc1nnc(C(C)C)o1
InChIInChI=1S/C13H20N4O2/c1-5-18-10(4)12-14-6-7-17(12)8-11-15-16-13(19-11)9(2)3/h6-7,9-10H,5,8H2,1-4H3/t10-/m0/s1
InChIKeySPUSSEJIUGNKLB-JTQLQIEISA-N
MW264.33 g/mol
LogP2.54
Rot. Bonds6

About 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 97065549) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID97065549
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCCO[C@@H](C)c1nccn1Cc1nnc(C(C)C)o1
InChIInChI=1S/C13H20N4O2/c1-5-18-10(4)12-14-6-7-17(12)8-11-15-16-13(19-11)9(2)3/h6-7,9-10H,5,8H2,1-4H3/t10-/m0/s1
InChIKeySPUSSEJIUGNKLB-JTQLQIEISA-N
XLogP2.54
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole (CID 97065549) is 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is CCO[C@@H](C)c1nccn1Cc1nnc(C(C)C)o1.
What is the InChIKey of 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is SPUSSEJIUGNKLB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-5-18-10(4)12-14-6-7-17(12)8-11-15-16-13(19-11)9(2)3/h6-7,9-10H,5,8H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 97065549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).