3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole

C18H16N4O2 — CID 167960781

IUPAC3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc2ccccc2c1)c1nc(-c2nccn2C)no1
InChIInChI=1S/C18H16N4O2/c1-12(18-20-16(21-24-18)17-19-9-10-22(17)2)23-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyMHPRLLSILFSNRS-LBPRGKRZSA-N
MW320.35 g/mol
LogP3.76
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole

3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole (PubChem CID 167960781) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
PubChem CID167960781
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc2ccccc2c1)c1nc(-c2nccn2C)no1
InChIInChI=1S/C18H16N4O2/c1-12(18-20-16(21-24-18)17-19-9-10-22(17)2)23-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyMHPRLLSILFSNRS-LBPRGKRZSA-N
XLogP3.76
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole (CID 167960781) is 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole is C[C@H](Oc1ccc2ccccc2c1)c1nc(-c2nccn2C)no1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole?
The InChIKey is MHPRLLSILFSNRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(18-20-16(21-24-18)17-19-9-10-22(17)2)23-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole?
3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole has a molecular weight of 320.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167960781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).