[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol

C16H22N2O4S — CID 110005733

IUPAC[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(14-17-15(18-22-14)16(2,3)4)23(20,21)10-13-7-5-12(9-19)6-8-13/h5-8,11,19H,9-10H2,1-4H3
InChIKeyASXCTEXZGKJVCK-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.54
Rot. Bonds5

About [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol

[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol (PubChem CID 110005733) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol
PubChem CID110005733
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(14-17-15(18-22-14)16(2,3)4)23(20,21)10-13-7-5-12(9-19)6-8-13/h5-8,11,19H,9-10H2,1-4H3
InChIKeyASXCTEXZGKJVCK-UHFFFAOYSA-N
XLogP2.54
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
CID 94092458
2-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonyl-1-pyrrolidin-1-ylethanone
CID 94025611
5-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfonyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole
CID 47062178
5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-methoxyphenyl)acetate
CID 55545052
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
CID 55553350
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-fluorophenyl)propanoate
CID 55544383
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 55553491
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346826
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol?
The IUPAC name of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol (CID 110005733) is [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol?
The canonical SMILES for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol is CC(c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol?
The InChIKey is ASXCTEXZGKJVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(14-17-15(18-22-14)16(2,3)4)23(20,21)10-13-7-5-12(9-19)6-8-13/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol?
[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol has a molecular weight of 338.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol is sourced from PubChem (CID 110005733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).