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

C19H18FN3O3 — CID 7709712

IUPAC2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-2-3-12-25-16-7-5-4-6-15(16)19(24)21-18-17(22-26-23-18)13-8-10-14(20)11-9-13/h4-11H,2-3,12H2,1H3,(H,21,23,24)
InChIKeyKCETYMRKCRVYRF-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.31
Rot. Bonds7

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

2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 7709712) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID7709712
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-2-3-12-25-16-7-5-4-6-15(16)19(24)21-18-17(22-26-23-18)13-8-10-14(20)11-9-13/h4-11H,2-3,12H2,1H3,(H,21,23,24)
InChIKeyKCETYMRKCRVYRF-UHFFFAOYSA-N
XLogP4.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244658
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 7709712) is 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide is CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1.
What is the InChIKey of 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is KCETYMRKCRVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-2-3-12-25-16-7-5-4-6-15(16)19(24)21-18-17(22-26-23-18)13-8-10-14(20)11-9-13/h4-11H,2-3,12H2,1H3,(H,21,23,24).
What are the key properties of 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 355.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 7709712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).