N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

C11H12FN5O3 — CID 136997030

IUPACN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyWFXMJNMMRBNMDE-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.05
Rot. Bonds5

About N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide

N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (PubChem CID 136997030) has the molecular formula C11H12FN5O3 and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
PubChem CID136997030
Molecular FormulaC11H12FN5O3
Molecular Weight281.25 g/mol
Exact Mass281.09
IUPAC NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19)
InChIKeyWFXMJNMMRBNMDE-UHFFFAOYSA-N
XLogP0.05
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxymethyl-3-methylphenyl)-1,4-dihydrotetrazole-5-one
CID 136646210
1-(2-Fluorophenyl)-4-[(4-fluorophenyl)methoxy]tetrazol-5-one
CID 67630516
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 90192893
N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]butanamide
CID 90192896
N-[[2-fluoro-6-(3-methyl-4-oxotriazetidin-1-yl)phenyl]methoxy]propanamide
CID 90192898
N-[[2-fluoro-6-(methylaminocarbamoylamino)phenyl]methoxy]acetamide
CID 90192926
1-[3-Fluoro-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
CID 117986688
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]cyclopropanecarboxamide
CID 118422333
1-[2-[(Ethylideneamino)oxymethyl]-3-fluorophenyl]-4-methyltetrazol-5-one
CID 118459406
methyl N-[[2-fluoro-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]ethanimidate
CID 118459413
1-[3-Fluoro-2-[(pentan-2-ylideneamino)oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 118459420
1-[2-[(Butan-2-ylideneamino)oxymethyl]-3-fluorophenyl]-4-methyltetrazol-5-one
CID 118459421

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The IUPAC name of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide (CID 136997030) is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is CCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O.
What is the InChIKey of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
The InChIKey is WFXMJNMMRBNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3/c1-2-10(18)14-20-6-7-8(12)4-3-5-9(7)17-11(19)13-15-16-17/h3-5H,2,6H2,1H3,(H,14,18)(H,13,16,19).
What are the key properties of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide?
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide has a molecular weight of 281.25 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide is sourced from PubChem (CID 136997030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).