2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid

C14H12N4O3 — CID 3022232

IUPAC2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
SMILESCc1cccc(-c2ccc(-c3nnnn3CC(=O)O)o2)c1
InChIInChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyKBMPCIIFQMNVED-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.99
Rot. Bonds4

About 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid

2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid (PubChem CID 3022232) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
PubChem CID3022232
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
SMILESCc1cccc(-c2ccc(-c3nnnn3CC(=O)O)o2)c1
InChIInChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyKBMPCIIFQMNVED-UHFFFAOYSA-N
XLogP1.99
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-(2-furyl)-1H-tetrazole
CID 763759
3-[1-[3-(4-Octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoic acid
CID 153933357
2H-Tetrazole-2-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-
CID 3022224
1H-Tetrazole-1-acetic acid, 5-(5-phenyl-2-furanyl)-
CID 3022236
1H-Tetrazole-1-acetic acid, 5-(5-(3-(trifluoromethyl)phenyl)-2-furanyl)-
CID 3022048
1H-Tetrazole-1-acetic acid, 5-(5-(4-methylphenyl)-2-furanyl)-
CID 3022049
1H-Tetrazole-1-acetic acid, 5-(5-(4-chlorophenyl)-2-furanyl)-
CID 3022228
1H-Tetrazole-1-acetic acid, 5-(5-(3-chlorophenyl)-2-furanyl)-
CID 3022229
1H-Tetrazole-1-acetic acid, 5-(5-(2-chlorophenyl)-2-furanyl)-
CID 3022230
1H-Tetrazole-1-acetic acid, 5-(5-(4-bromophenyl)-2-furanyl)-
CID 3022231
1H-Tetrazole-1-acetic acid, 5-(5-(4-methoxyphenyl)-2-furanyl)-
CID 3022233
1H-Tetrazole-1-acetic acid, 5-(5-(2-methoxyphenyl)-2-furanyl)-
CID 3022234

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid (CID 3022232) is 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid is Cc1cccc(-c2ccc(-c3nnnn3CC(=O)O)o2)c1.
What is the InChIKey of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
The InChIKey is KBMPCIIFQMNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid?
2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 3022232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).