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

C16H12FN3O3 — CID 7710203

IUPACN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c1-22-13-5-3-2-4-12(13)16(21)18-15-14(19-23-20-15)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyVWRLEVXYEDEBFP-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.14
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide (PubChem CID 7710203) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
PubChem CID7710203
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC NameN-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c1-22-13-5-3-2-4-12(13)16(21)18-15-14(19-23-20-15)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21)
InChIKeyVWRLEVXYEDEBFP-UHFFFAOYSA-N
XLogP3.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7709712
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide (CID 7710203) is N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide?
The InChIKey is VWRLEVXYEDEBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-22-13-5-3-2-4-12(13)16(21)18-15-14(19-23-20-15)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide?
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide has a molecular weight of 313.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 7710203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).