2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

C20H18ClFN2O2 — CID 56804083

IUPAC2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)cc1
InChIInChI=1S/C20H18ClFN2O2/c21-16-3-1-2-15(13-16)20(8-10-25-11-9-20)19-24-23-18(26-19)12-14-4-6-17(22)7-5-14/h1-7,13H,8-12H2
InChIKeyVONATPXRKRTNNE-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 56804083) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID56804083
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)cc1
InChIInChI=1S/C20H18ClFN2O2/c21-16-3-1-2-15(13-16)20(8-10-25-11-9-20)19-24-23-18(26-19)12-14-4-6-17(22)7-5-14/h1-7,13H,8-12H2
InChIKeyVONATPXRKRTNNE-UHFFFAOYSA-N
XLogP4.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56784760
2-[(2-Fluorophenyl)methyl]-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56784761
2-[4-(4-Chlorophenyl)oxan-4-yl]-5-methyl-1,3,4-oxadiazole
CID 56784939
2-Cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784944
2-Cyclopropyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784945
2-[4-(2-Chlorophenyl)oxan-4-yl]-5-ethyl-1,3,4-oxadiazole
CID 56784946
2-Ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784949
2-[4-(4-Chlorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 56784985
2-[4-(4-Fluorophenyl)oxan-4-yl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 56784988
2-(Cyclohexylmethyl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56803914
2-[4-(3-Chlorophenyl)oxan-4-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 56804014
2-[(4-Fluorophenyl)methyl]-5-[4-(4-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56804084

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 56804083) is 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is Fc1ccc(Cc2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is VONATPXRKRTNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-16-3-1-2-15(13-16)20(8-10-25-11-9-20)19-24-23-18(26-19)12-14-4-6-17(22)7-5-14/h1-7,13H,8-12H2.
What are the key properties of 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 372.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)oxan-4-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56804083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).