5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole

C20H16FN3O2 — CID 53176331

IUPAC5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1oc(-c2ccccc2)nc1Cc1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN3O2/c1-13-17(22-20(25-13)15-5-3-2-4-6-15)12-18-23-19(26-24-18)11-14-7-9-16(21)10-8-14/h2-10H,11-12H2,1H3
InChIKeyCOIKSHDQDLBQRE-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.35
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53176331) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID53176331
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCc1oc(-c2ccccc2)nc1Cc1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H16FN3O2/c1-13-17(22-20(25-13)15-5-3-2-4-6-15)12-18-23-19(26-24-18)11-14-7-9-16(21)10-8-14/h2-10H,11-12H2,1H3
InChIKeyCOIKSHDQDLBQRE-UHFFFAOYSA-N
XLogP4.35
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
5-methyl-4-[(4-phenylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175236922
5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958824
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole
CID 53176345
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
3-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 71926182
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670656
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (CID 53176331) is 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is Cc1oc(-c2ccccc2)nc1Cc1noc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is COIKSHDQDLBQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13-17(22-20(25-13)15-5-3-2-4-6-15)12-18-23-19(26-24-18)11-14-7-9-16(21)10-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 349.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53176331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).