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

C15H20N2O4S — CID 111911908

IUPAC2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol
SMILESCc1ccccc1Cc1nc(CS(=O)(=O)CC(C)CO)no1
InChIInChI=1S/C15H20N2O4S/c1-11(8-18)9-22(19,20)10-14-16-15(21-17-14)7-13-6-4-3-5-12(13)2/h3-6,11,18H,7-10H2,1-2H3
InChIKeyHQDNOMIRVRIGSP-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.51
Rot. Bonds7

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

2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol (PubChem CID 111911908) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol
PubChem CID111911908
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol
SMILESCc1ccccc1Cc1nc(CS(=O)(=O)CC(C)CO)no1
InChIInChI=1S/C15H20N2O4S/c1-11(8-18)9-22(19,20)10-14-16-15(21-17-14)7-13-6-4-3-5-12(13)2/h3-6,11,18H,7-10H2,1-2H3
InChIKeyHQDNOMIRVRIGSP-UHFFFAOYSA-N
XLogP1.51
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol with MolForge

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Related Compounds

2-methyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]propan-1-ol
CID 111469837
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-2-methylpropan-1-ol
CID 111469816
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344884
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 91646541
methyl (2R)-2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoate
CID 96563554
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]propan-1-ol
CID 111469888
5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 71860262
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol (CID 111911908) is 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol is Cc1ccccc1Cc1nc(CS(=O)(=O)CC(C)CO)no1.
What is the InChIKey of 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol?
The InChIKey is HQDNOMIRVRIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(8-18)9-22(19,20)10-14-16-15(21-17-14)7-13-6-4-3-5-12(13)2/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol?
2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol has a molecular weight of 324.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfonyl]propan-1-ol is sourced from PubChem (CID 111911908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).