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

C16H16N2O2S — CID 111459478

IUPAC2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCC(C)(O)CSc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H16N2O2S/c1-16(2,19)10-21-15-18-17-14(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,19H,10H2,1-2H3
InChIKeyYDZLOSIRBNAKPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.75
Rot. Bonds4

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

2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 111459478) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID111459478
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCC(C)(O)CSc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H16N2O2S/c1-16(2,19)10-21-15-18-17-14(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,19H,10H2,1-2H3
InChIKeyYDZLOSIRBNAKPY-UHFFFAOYSA-N
XLogP3.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide
CID 91643320
N-(2,6-diethylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3352297
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 4212041
3-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]chromen-2-one
CID 4668510
1-(4-methoxyphenyl)-5-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pent-3-yn-1-one
CID 7354098
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4243557
dimethyl 5-[[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4990658
4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate
CID 4675130
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
CID 856412
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (CID 111459478) is 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is CC(C)(O)CSc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is YDZLOSIRBNAKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(2,19)10-21-15-18-17-14(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 300.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 111459478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).