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

C12H10FN7O3 — CID 153294749

IUPAC4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1NCn1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN7O3/c13-8-3-1-7(2-4-8)5-9-15-18-19-20(9)6-14-11-10(12(21)22)16-23-17-11/h1-4H,5-6H2,(H,14,17)(H,21,22)
InChIKeyVPOXTPHCKYDLJB-UHFFFAOYSA-N
MW319.26 g/mol
LogP0.55
Rot. Bonds6

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

4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 153294749) has the molecular formula C12H10FN7O3 and a molecular weight of 319.26 g/mol. Its IUPAC name is 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID153294749
Molecular FormulaC12H10FN7O3
Molecular Weight319.26 g/mol
Exact Mass319.08
IUPAC Name4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1nonc1NCn1nnnc1Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN7O3/c13-8-3-1-7(2-4-8)5-9-15-18-19-20(9)6-14-11-10(12(21)22)16-23-17-11/h1-4H,5-6H2,(H,14,17)(H,21,22)
InChIKeyVPOXTPHCKYDLJB-UHFFFAOYSA-N
XLogP0.55
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-[[5-(4-fluorophenyl)tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid
CID 153294751
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
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226046
2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
CID 66040568
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
CID 82225898
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81067960
1-butyl-5-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 82205240
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid (CID 153294749) is 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid is O=C(O)c1nonc1NCn1nnnc1Cc1ccc(F)cc1.
What is the InChIKey of 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is VPOXTPHCKYDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7O3/c13-8-3-1-7(2-4-8)5-9-15-18-19-20(9)6-14-11-10(12(21)22)16-23-17-11/h1-4H,5-6H2,(H,14,17)(H,21,22).
What are the key properties of 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid?
4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 319.26 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methylamino]-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 153294749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).