8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C17H15ClN2OS — CID 23640973

IUPAC8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2
InChIInChI=1S/C17H15ClN2OS/c1-2-3-14-19-17-13(22-14)9-8-12-15(17)16(20-21-12)10-4-6-11(18)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyUAYSZKBXUKXDIN-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.17
Rot. Bonds3

About 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 23640973) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID23640973
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2
InChIInChI=1S/C17H15ClN2OS/c1-2-3-14-19-17-13(22-14)9-8-12-15(17)16(20-21-12)10-4-6-11(18)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKeyUAYSZKBXUKXDIN-UHFFFAOYSA-N
XLogP5.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 23640973) is 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is CCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2.
What is the InChIKey of 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is UAYSZKBXUKXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-3-14-19-17-13(22-14)9-8-12-15(17)16(20-21-12)10-4-6-11(18)7-5-10/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 330.84 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 23640973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).