4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol

C14H13N3O2S — CID 135923288

IUPAC4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCC(C)c1csc(-c2nnc(-c3ccc(O)cc3)o2)n1
InChIInChI=1S/C14H13N3O2S/c1-8(2)11-7-20-14(15-11)13-17-16-12(19-13)9-3-5-10(18)6-4-9/h3-8,18H,1-2H3
InChIKeyUASWQYXNCAILAW-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.69
Rot. Bonds3

About 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol

4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135923288) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135923288
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCC(C)c1csc(-c2nnc(-c3ccc(O)cc3)o2)n1
InChIInChI=1S/C14H13N3O2S/c1-8(2)11-7-20-14(15-11)13-17-16-12(19-13)9-3-5-10(18)6-4-9/h3-8,18H,1-2H3
InChIKeyUASWQYXNCAILAW-UHFFFAOYSA-N
XLogP3.69
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol (CID 135923288) is 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol is CC(C)c1csc(-c2nnc(-c3ccc(O)cc3)o2)n1.
What is the InChIKey of 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is UASWQYXNCAILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8(2)11-7-20-14(15-11)13-17-16-12(19-13)9-3-5-10(18)6-4-9/h3-8,18H,1-2H3.
What are the key properties of 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 287.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135923288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).