N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide

C18H16FN3O5S — CID 9189520

IUPACN-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3F)o2)cc1
InChIInChI=1S/C18H16FN3O5S/c1-26-14-8-6-12(7-9-14)17(23)20-10-16-21-22-18(27-16)28(24,25)11-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBZXTXZUOVBTDRY-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.12
Rot. Bonds7

About N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide

N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 9189520) has the molecular formula C18H16FN3O5S and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID9189520
Molecular FormulaC18H16FN3O5S
Molecular Weight405.41 g/mol
Exact Mass405.08
IUPAC NameN-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3F)o2)cc1
InChIInChI=1S/C18H16FN3O5S/c1-26-14-8-6-12(7-9-14)17(23)20-10-16-21-22-18(27-16)28(24,25)11-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBZXTXZUOVBTDRY-UHFFFAOYSA-N
XLogP2.12
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 9190539
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
CID 9189406
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166536
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
CID 9189646

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (CID 9189520) is N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3F)o2)cc1.
What is the InChIKey of N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is BZXTXZUOVBTDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S/c1-26-14-8-6-12(7-9-14)17(23)20-10-16-21-22-18(27-16)28(24,25)11-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 405.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 9189520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).