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

C10H10FN5O3 — CID 137186133

IUPACN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C10H10FN5O3/c1-6(17)13-19-5-7-8(11)3-2-4-9(7)16-10(18)12-14-15-16/h2-4H,5H2,1H3,(H,13,17)(H,12,15,18)
InChIKeyAWXZLGZNPQRHNY-UHFFFAOYSA-N
MW267.22 g/mol
LogP-0.34
Rot. Bonds4

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

N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide (PubChem CID 137186133) has the molecular formula C10H10FN5O3 and a molecular weight of 267.22 g/mol. Its IUPAC name is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide
PubChem CID137186133
Molecular FormulaC10H10FN5O3
Molecular Weight267.22 g/mol
Exact Mass267.08
IUPAC NameN-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide
SMILESCC(=O)NOCc1c(F)cccc1-n1nn[nH]c1=O
InChIInChI=1S/C10H10FN5O3/c1-6(17)13-19-5-7-8(11)3-2-4-9(7)16-10(18)12-14-15-16/h2-4H,5H2,1H3,(H,13,17)(H,12,15,18)
InChIKeyAWXZLGZNPQRHNY-UHFFFAOYSA-N
XLogP-0.34
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.34
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]acetamide?
The IUPAC name of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide (CID 137186133) is N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide.
What is the SMILES notation for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide?
The canonical SMILES for N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide is CC(=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]acetamide?
The InChIKey is AWXZLGZNPQRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O3/c1-6(17)13-19-5-7-8(11)3-2-4-9(7)16-10(18)12-14-15-16/h2-4H,5H2,1H3,(H,13,17)(H,12,15,18).
What are the key properties of N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide?
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]acetamide has a molecular weight of 267.22 g/mol, XLogP of -0.34, 4 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]acetamide is sourced from PubChem (CID 137186133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).