2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol

C16H16N4O2 — CID 154861279

IUPAC2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCn1ccnc1-c1noc(C2(O)CCc3ccccc3C2)n1
InChIInChI=1S/C16H16N4O2/c1-20-9-8-17-14(20)13-18-15(22-19-13)16(21)7-6-11-4-2-3-5-12(11)10-16/h2-5,8-9,21H,6-7,10H2,1H3
InChIKeyIZVWKQLJRRPXBF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.85
Rot. Bonds2

About 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol

2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 154861279) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID154861279
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCn1ccnc1-c1noc(C2(O)CCc3ccccc3C2)n1
InChIInChI=1S/C16H16N4O2/c1-20-9-8-17-14(20)13-18-15(22-19-13)16(21)7-6-11-4-2-3-5-12(11)10-16/h2-5,8-9,21H,6-7,10H2,1H3
InChIKeyIZVWKQLJRRPXBF-UHFFFAOYSA-N
XLogP1.85
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol with MolForge

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Related Compounds

3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 113430976
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol
CID 146142070
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 114529366
3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
CID 167960781
4-[3-[4-(benzenesulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-methylpiperidin-4-ol
CID 166638314
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
(E)-N-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylprop-2-enamide
CID 75361889
3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677191
(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912471
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-quinolin-5-yl-3,4-dihydro-1H-naphthalen-2-ol
CID 81196643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol (CID 154861279) is 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol is Cn1ccnc1-c1noc(C2(O)CCc3ccccc3C2)n1.
What is the InChIKey of 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is IZVWKQLJRRPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-9-8-17-14(20)13-18-15(22-19-13)16(21)7-6-11-4-2-3-5-12(11)10-16/h2-5,8-9,21H,6-7,10H2,1H3.
What are the key properties of 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol?
2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 296.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 154861279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).