(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

C16H16N2O3S — CID 122135381

IUPAC(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCOC[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H16N2O3S/c1-20-9-14(19)10-22-16-18-17-15(21-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3/t14-/m1/s1
InChIKeyDNOUGHNULSQJBD-CQSZACIVSA-N
MW316.38 g/mol
LogP2.99
Rot. Bonds6

About (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 122135381) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID122135381
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCOC[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H16N2O3S/c1-20-9-14(19)10-22-16-18-17-15(21-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3/t14-/m1/s1
InChIKeyDNOUGHNULSQJBD-CQSZACIVSA-N
XLogP2.99
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 51222930
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4027158
1-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol
CID 46690972
2-(4-methylphenyl)-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 46409346
1-(azepan-1-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 4617947
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
dimethyl 5-[[2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 3913763
1-(azepan-1-yl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3707481
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (CID 122135381) is (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is COC[C@@H](O)CSc1nnc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is DNOUGHNULSQJBD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-9-14(19)10-22-16-18-17-15(21-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14,19H,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
(2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 316.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 122135381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).