3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole

C19H17N5OS — CID 53112606

IUPAC3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1
InChIInChI=1S/C19H17N5OS/c1-2-24-10-9-15(22-24)18-21-17(23-25-18)13-5-3-12(4-6-13)16-11-26-19(20-16)14-7-8-14/h3-6,9-11,14H,2,7-8H2,1H3
InChIKeyBRKRDVIBDKEDCE-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.62
Rot. Bonds5

About 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole

3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 53112606) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID53112606
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1
InChIInChI=1S/C19H17N5OS/c1-2-24-10-9-15(22-24)18-21-17(23-25-18)13-5-3-12(4-6-13)16-11-26-19(20-16)14-7-8-14/h3-6,9-11,14H,2,7-8H2,1H3
InChIKeyBRKRDVIBDKEDCE-UHFFFAOYSA-N
XLogP4.62
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole (CID 53112606) is 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole is CCn1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)n1.
What is the InChIKey of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is BRKRDVIBDKEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-24-10-9-15(22-24)18-21-17(23-25-18)13-5-3-12(4-6-13)16-11-26-19(20-16)14-7-8-14/h3-6,9-11,14H,2,7-8H2,1H3.
What are the key properties of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole?
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 363.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(1-ethylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53112606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).