2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C19H15FN6O2 — CID 7993306

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)Cn3nnc(-c4ccc(F)cc4)n3)on2)cc1
InChIInChI=1S/C19H15FN6O2/c1-12-2-4-13(5-3-12)16-10-18(28-24-16)21-17(27)11-26-23-19(22-25-26)14-6-8-15(20)9-7-14/h2-10H,11H2,1H3,(H,21,27)
InChIKeyYDWOIVDUZVEKBX-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.08
Rot. Bonds5

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 7993306) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID7993306
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)Cn3nnc(-c4ccc(F)cc4)n3)on2)cc1
InChIInChI=1S/C19H15FN6O2/c1-12-2-4-13(5-3-12)16-10-18(28-24-16)21-17(27)11-26-23-19(22-25-26)14-6-8-15(20)9-7-14/h2-10H,11H2,1H3,(H,21,27)
InChIKeyYDWOIVDUZVEKBX-UHFFFAOYSA-N
XLogP3.08
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 7993306) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)Cn3nnc(-c4ccc(F)cc4)n3)on2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is YDWOIVDUZVEKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-12-2-4-13(5-3-12)16-10-18(28-24-16)21-17(27)11-26-23-19(22-25-26)14-6-8-15(20)9-7-14/h2-10H,11H2,1H3,(H,21,27).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 378.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 7993306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).