8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C18H18N2O2S — CID 24747779

IUPAC8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(C(C)C)sc2CC3)cc1
InChIInChI=1S/C18H18N2O2S/c1-10(2)18-19-17-14(23-18)9-8-13-15(17)16(20-22-13)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyXJFOSEMVPGGOBA-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.70
Rot. Bonds3

About 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 24747779) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID24747779
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(C(C)C)sc2CC3)cc1
InChIInChI=1S/C18H18N2O2S/c1-10(2)18-19-17-14(23-18)9-8-13-15(17)16(20-22-13)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyXJFOSEMVPGGOBA-UHFFFAOYSA-N
XLogP4.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 24747779) is 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is COc1ccc(-c2noc3c2-c2nc(C(C)C)sc2CC3)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is XJFOSEMVPGGOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10(2)18-19-17-14(23-18)9-8-13-15(17)16(20-22-13)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 326.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 24747779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).