5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C15H12FN3O3 — CID 5307742

IUPAC5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FN3O3/c16-11-5-3-10(4-6-11)8-13-18-19-15(22-13)14(20)17-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,20)
InChIKeyLBSGYJJKMLHJLG-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.32
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5307742) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID5307742
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H12FN3O3/c16-11-5-3-10(4-6-11)8-13-18-19-15(22-13)14(20)17-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,20)
InChIKeyLBSGYJJKMLHJLG-UHFFFAOYSA-N
XLogP2.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834338
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
2-[[(4-fluorophenyl)methyl-[(3-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46000365
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3396114
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 5307742) is 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LBSGYJJKMLHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-11-5-3-10(4-6-11)8-13-18-19-15(22-13)14(20)17-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,17,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 301.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5307742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).