[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol

C16H21N3O5S — CID 122155534

IUPAC[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol
SMILESCC(C)c1nnc(COc2ccc(S(=O)(=O)N3CC(CO)C3)cc2)o1
InChIInChI=1S/C16H21N3O5S/c1-11(2)16-18-17-15(24-16)10-23-13-3-5-14(6-4-13)25(21,22)19-7-12(8-19)9-20/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyALVQWEDXYFOUHI-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.38
Rot. Bonds7

About [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol

[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol (PubChem CID 122155534) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol
PubChem CID122155534
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol
SMILESCC(C)c1nnc(COc2ccc(S(=O)(=O)N3CC(CO)C3)cc2)o1
InChIInChI=1S/C16H21N3O5S/c1-11(2)16-18-17-15(24-16)10-23-13-3-5-14(6-4-13)25(21,22)19-7-12(8-19)9-20/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyALVQWEDXYFOUHI-UHFFFAOYSA-N
XLogP1.38
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol?
The IUPAC name of [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol (CID 122155534) is [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol?
The canonical SMILES for [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol is CC(C)c1nnc(COc2ccc(S(=O)(=O)N3CC(CO)C3)cc2)o1.
What is the InChIKey of [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol?
The InChIKey is ALVQWEDXYFOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-11(2)16-18-17-15(24-16)10-23-13-3-5-14(6-4-13)25(21,22)19-7-12(8-19)9-20/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol?
[1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol has a molecular weight of 367.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]sulfonylazetidin-3-yl]methanol is sourced from PubChem (CID 122155534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).