5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole

C18H14FN3O3 — CID 58763074

IUPAC5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole
SMILESCOc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2oc(C)nc12
InChIInChI=1S/C18H14FN3O3/c1-10-20-16-14(24-10)8-7-13(17(16)23-2)18-22-21-15(25-18)9-11-3-5-12(19)6-4-11/h3-8H,9H2,1-2H3
InChIKeySCUSCIQPFQFXIU-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.92
Rot. Bonds4

About 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole

5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole (PubChem CID 58763074) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole
PubChem CID58763074
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole
SMILESCOc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2oc(C)nc12
InChIInChI=1S/C18H14FN3O3/c1-10-20-16-14(24-10)8-7-13(17(16)23-2)18-22-21-15(25-18)9-11-3-5-12(19)6-4-11/h3-8H,9H2,1-2H3
InChIKeySCUSCIQPFQFXIU-UHFFFAOYSA-N
XLogP3.92
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)methyl]-5-(4-methoxy-2-methyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazole
CID 58763122
2-(7-ethyl-4-methoxy-1,2-dimethylbenzimidazol-5-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 58763211
N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane
CID 158661740
2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19552881
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,6-naphthyridin-8-ol
CID 135524880
1-(4-methoxy-2-methyl-1,3-benzoxazol-5-yl)propan-2-one
CID 83888578
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
CID 135869555
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-[(4-chlorophenyl)methyl]-5-[1-(4-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]-1,3,4-oxadiazole
CID 29139469
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide
CID 135869552

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole (CID 58763074) is 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole is COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2oc(C)nc12.
What is the InChIKey of 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole?
The InChIKey is SCUSCIQPFQFXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-10-20-16-14(24-10)8-7-13(17(16)23-2)18-22-21-15(25-18)9-11-3-5-12(19)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole?
5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole has a molecular weight of 339.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 58763074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).