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

C14H12N4O3 — CID 3022224

IUPAC2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid
SMILESCc1cccc(-c2ccc(-c3nnn(CC(=O)O)n3)o2)c1
InChIInChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-17-18(16-14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJBOYJWQOXKGKHA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.99
Rot. Bonds4

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

2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid (PubChem CID 3022224) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid
PubChem CID3022224
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid
SMILESCc1cccc(-c2ccc(-c3nnn(CC(=O)O)n3)o2)c1
InChIInChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-17-18(16-14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJBOYJWQOXKGKHA-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid (CID 3022224) is 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid is Cc1cccc(-c2ccc(-c3nnn(CC(=O)O)n3)o2)c1.
What is the InChIKey of 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-yl]acetic acid?
The InChIKey is JBOYJWQOXKGKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-3-2-4-10(7-9)11-5-6-12(21-11)14-15-17-18(16-14)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-2-yl]acetic acid?
2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-2-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-2-yl]acetic acid is sourced from PubChem (CID 3022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).