1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol

C20H18N2O4S — CID 51222930

IUPAC1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1occc1-c1nnc(SCC(O)COc2ccc3ccccc3c2)o1
InChIInChI=1S/C20H18N2O4S/c1-13-18(8-9-24-13)19-21-22-20(26-19)27-12-16(23)11-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,16,23H,11-12H2,1H3
InChIKeyBYFGJWMCKYJAIB-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.32
Rot. Bonds7

About 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol

1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 51222930) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID51222930
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1occc1-c1nnc(SCC(O)COc2ccc3ccccc3c2)o1
InChIInChI=1S/C20H18N2O4S/c1-13-18(8-9-24-13)19-21-22-20(26-19)27-12-16(23)11-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,16,23H,11-12H2,1H3
InChIKeyBYFGJWMCKYJAIB-UHFFFAOYSA-N
XLogP4.32
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 122135381
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
1-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 46690972
(2S)-1-(3,5-dimethylphenoxy)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-ol
CID 135567568
2-(4-methylphenyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 46409346
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 78763880
(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 52503254
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496
(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 52501080
1-[2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]phenyl]ethanone
CID 17441799
1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
CID 107779961

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol (CID 51222930) is 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol is Cc1occc1-c1nnc(SCC(O)COc2ccc3ccccc3c2)o1.
What is the InChIKey of 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is BYFGJWMCKYJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-18(8-9-24-13)19-21-22-20(26-19)27-12-16(23)11-25-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,16,23H,11-12H2,1H3.
What are the key properties of 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 382.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 51222930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).