4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid

C11H8FN7O3 — CID 153294751

IUPAC4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1NCn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN7O3/c12-7-3-1-6(2-4-7)10-14-17-18-19(10)5-13-9-8(11(20)21)15-22-16-9/h1-4H,5H2,(H,13,16)(H,20,21)
InChIKeyYENIIRGCWKDQSV-UHFFFAOYSA-N
MW305.23 g/mol
LogP0.63
Rot. Bonds5

About 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid

4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 153294751) has the molecular formula C11H8FN7O3 and a molecular weight of 305.23 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID153294751
Molecular FormulaC11H8FN7O3
Molecular Weight305.23 g/mol
Exact Mass305.07
IUPAC Name4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1NCn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN7O3/c12-7-3-1-6(2-4-7)10-14-17-18-19(10)5-13-9-8(11(20)21)15-22-16-9/h1-4H,5H2,(H,13,16)(H,20,21)
InChIKeyYENIIRGCWKDQSV-UHFFFAOYSA-N
XLogP0.63
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
CID 153294749
4-[[5-(4-phenylbutyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
CID 153294739
4-[[5-(phenylmethoxymethyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
CID 148607463
methyl 4-[[5-(3-hydroxyphenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylate
CID 154930013
N-[3-[1-[[[4-(2-hydroxyacetyl)-1,2,5-oxadiazol-3-yl]amino]methyl]tetrazol-5-yl]phenyl]methanesulfonamide
CID 153294752
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
1-[2-(dimethylamino)-2-oxoethyl]-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 102644342
3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 113308371
N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419682
1-ethyl-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82207145
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid (CID 153294751) is 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid is O=C(O)c1nonc1NCn1nnnc1-c1ccc(F)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is YENIIRGCWKDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN7O3/c12-7-3-1-6(2-4-7)10-14-17-18-19(10)5-13-9-8(11(20)21)15-22-16-9/h1-4H,5H2,(H,13,16)(H,20,21).
What are the key properties of 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 305.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 153294751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).