4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

C17H17F2NOS — CID 19046239

IUPAC4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)s1
InChIInChI=1S/C17H17F2NOS/c1-17(2,3)14-8-7-13(22-14)12-9-21-16(20-12)15-10(18)5-4-6-11(15)19/h4-8,12H,9H2,1-3H3
InChIKeyCVKCSZMNSPNRHP-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.84
Rot. Bonds2

About 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole

4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19046239) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID19046239
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC Name4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)s1
InChIInChI=1S/C17H17F2NOS/c1-17(2,3)14-8-7-13(22-14)12-9-21-16(20-12)15-10(18)5-4-6-11(15)19/h4-8,12H,9H2,1-3H3
InChIKeyCVKCSZMNSPNRHP-UHFFFAOYSA-N
XLogP4.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 19046239) is 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccc(C2COC(c3c(F)cccc3F)=N2)s1.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CVKCSZMNSPNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c1-17(2,3)14-8-7-13(22-14)12-9-21-16(20-12)15-10(18)5-4-6-11(15)19/h4-8,12H,9H2,1-3H3.
What are the key properties of 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 321.39 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19046239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).