2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole

C27H27F2NO2 — CID 15411077

IUPAC2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1OC(C)C
InChIInChI=1S/C27H27F2NO2/c1-4-6-21-15-20(13-14-25(21)32-17(2)3)18-9-11-19(12-10-18)24-16-31-27(30-24)26-22(28)7-5-8-23(26)29/h5,7-15,17,24H,4,6,16H2,1-3H3
InChIKeyTVKMVZCDHVDSPF-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.89
Rot. Bonds7

About 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15411077) has the molecular formula C27H27F2NO2 and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID15411077
Molecular FormulaC27H27F2NO2
Molecular Weight435.51 g/mol
Exact Mass435.20
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1OC(C)C
InChIInChI=1S/C27H27F2NO2/c1-4-6-21-15-20(13-14-25(21)32-17(2)3)18-9-11-19(12-10-18)24-16-31-27(30-24)26-22(28)7-5-8-23(26)29/h5,7-15,17,24H,4,6,16H2,1-3H3
InChIKeyTVKMVZCDHVDSPF-UHFFFAOYSA-N
XLogP6.89
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

Etoxazole
CID 153974
4-(4-Decoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15007800
2-(2,6-Difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853219
2-(2,6-Difluorophenyl)-4-(4-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
CID 14853245
4-(4-Butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853248
2-(2,6-Difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007796
2-(2,6-Difluorophenyl)-4-(4-tridecoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007808
2-(2,6-Difluorophenyl)-4-(4-tetradecoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 15007809
4-(4-Decyl-2-methoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008045
2-(2,6-Difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008050
4-(4-Tert-butyl-2-methoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308797
2-(2,6-Difluorophenyl)-4-(4-propan-2-yl-2-propoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 76312494

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 15411077) is 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is CCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1OC(C)C.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is TVKMVZCDHVDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO2/c1-4-6-21-15-20(13-14-25(21)32-17(2)3)18-9-11-19(12-10-18)24-16-31-27(30-24)26-22(28)7-5-8-23(26)29/h5,7-15,17,24H,4,6,16H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 435.51 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(4-propan-2-yloxy-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15411077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).