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

C21H14ClF2NO — CID 15007856

IUPAC4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)cc2)CO1
InChIInChI=1S/C21H14ClF2NO/c22-16-10-8-14(9-11-16)13-4-6-15(7-5-13)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2
InChIKeyBXIYTENQLLQURE-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.80
Rot. Bonds3

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

4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007856) has the molecular formula C21H14ClF2NO and a molecular weight of 369.80 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007856
Molecular FormulaC21H14ClF2NO
Molecular Weight369.80 g/mol
Exact Mass369.07
IUPAC Name4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)cc2)CO1
InChIInChI=1S/C21H14ClF2NO/c22-16-10-8-14(9-11-16)13-4-6-15(7-5-13)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2
InChIKeyBXIYTENQLLQURE-UHFFFAOYSA-N
XLogP5.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853265
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 15007856) is 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(Cl)cc3)cc2)CO1.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BXIYTENQLLQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2NO/c22-16-10-8-14(9-11-16)13-4-6-15(7-5-13)19-12-26-21(25-19)20-17(23)2-1-3-18(20)24/h1-11,19H,12H2.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 369.80 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).