3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole

C16H13ClFNO — CID 91115766

IUPAC3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,10,15,19H,9H2
InChIKeyHYMCEWGHWHBAIK-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.97
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole (PubChem CID 91115766) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
PubChem CID91115766
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,10,15,19H,9H2
InChIKeyHYMCEWGHWHBAIK-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90694416
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 90740148
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
5-Benzyl-3-(2-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91159919
3-(4-Fluorophenyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 91347486
3-(4-Fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91396953
5-Benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91419881
3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91478404

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole (CID 91115766) is 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole is Fc1ccc(CC2C=C(c3ccc(Cl)cc3)NO2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is HYMCEWGHWHBAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,10,15,19H,9H2.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 289.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91115766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).