2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole

C22H17ClFNO2 — CID 15008069

IUPAC2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2COC(c3c(F)cccc3Cl)=N2)cc1-c1ccccc1
InChIInChI=1S/C22H17ClFNO2/c1-26-20-11-10-15(12-16(20)14-6-3-2-4-7-14)19-13-27-22(25-19)21-17(23)8-5-9-18(21)24/h2-12,19H,13H2,1H3
InChIKeyCHOCRYNQERQZHN-UHFFFAOYSA-N
MW381.83 g/mol
LogP5.67
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole

2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15008069) has the molecular formula C22H17ClFNO2 and a molecular weight of 381.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15008069
Molecular FormulaC22H17ClFNO2
Molecular Weight381.83 g/mol
Exact Mass381.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2COC(c3c(F)cccc3Cl)=N2)cc1-c1ccccc1
InChIInChI=1S/C22H17ClFNO2/c1-26-20-11-10-15(12-16(20)14-6-3-2-4-7-14)19-13-27-22(25-19)21-17(23)8-5-9-18(21)24/h2-12,19H,13H2,1H3
InChIKeyCHOCRYNQERQZHN-UHFFFAOYSA-N
XLogP5.67
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole (CID 15008069) is 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2COC(c3c(F)cccc3Cl)=N2)cc1-c1ccccc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CHOCRYNQERQZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO2/c1-26-20-11-10-15(12-16(20)14-6-3-2-4-7-14)19-13-27-22(25-19)21-17(23)8-5-9-18(21)24/h2-12,19H,13H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 381.83 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15008069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).