N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide

C13H16FN5O3 — CID 90192896

IUPACN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide
SMILESCCCC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C13H16FN5O3/c1-3-5-12(20)15-22-8-9-10(14)6-4-7-11(9)19-13(21)18(2)16-17-19/h4,6-7H,3,5,8H2,1-2H3,(H,15,20)
InChIKeyYOOBPPQRXJGKAK-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.45
Rot. Bonds6

About N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide

N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide (PubChem CID 90192896) has the molecular formula C13H16FN5O3 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide
PubChem CID90192896
Molecular FormulaC13H16FN5O3
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC NameN-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide
SMILESCCCC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C13H16FN5O3/c1-3-5-12(20)15-22-8-9-10(14)6-4-7-11(9)19-13(21)18(2)16-17-19/h4,6-7H,3,5,8H2,1-2H3,(H,15,20)
InChIKeyYOOBPPQRXJGKAK-UHFFFAOYSA-N
XLogP0.45
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide?
The IUPAC name of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide (CID 90192896) is N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide.
What is the SMILES notation for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide?
The canonical SMILES for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide is CCCC(=O)NOCc1c(F)cccc1-n1nnn(C)c1=O.
What is the InChIKey of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide?
The InChIKey is YOOBPPQRXJGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O3/c1-3-5-12(20)15-22-8-9-10(14)6-4-7-11(9)19-13(21)18(2)16-17-19/h4,6-7H,3,5,8H2,1-2H3,(H,15,20).
What are the key properties of N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide?
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide has a molecular weight of 309.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide is sourced from PubChem (CID 90192896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).