2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole

C15H15N3O2S — CID 46202522

IUPAC2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1
InChIInChI=1S/C15H15N3O2S/c1-9(2)12-8-21-15(16-12)14-18-17-13(20-14)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3
InChIKeyUHGBFBHVUHDPDB-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 46202522) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID46202522
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1
InChIInChI=1S/C15H15N3O2S/c1-9(2)12-8-21-15(16-12)14-18-17-13(20-14)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3
InChIKeyUHGBFBHVUHDPDB-UHFFFAOYSA-N
XLogP3.99
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 46202522) is 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is UHGBFBHVUHDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9(2)12-8-21-15(16-12)14-18-17-13(20-14)10-4-6-11(19-3)7-5-10/h4-9H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 301.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 46202522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).