2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole

C23H15F2N5O — CID 68978444

IUPAC2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
SMILESFc1ccc(Cn2nnc(-c3cccc(-c4ncc(-c5ccccc5)o4)c3)n2)cc1F
InChIInChI=1S/C23H15F2N5O/c24-19-10-9-15(11-20(19)25)14-30-28-22(27-29-30)17-7-4-8-18(12-17)23-26-13-21(31-23)16-5-2-1-3-6-16/h1-13H,14H2
InChIKeyCGCVAILJOFFFMY-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.99
Rot. Bonds5

About 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole

2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole (PubChem CID 68978444) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
PubChem CID68978444
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
SMILESFc1ccc(Cn2nnc(-c3cccc(-c4ncc(-c5ccccc5)o4)c3)n2)cc1F
InChIInChI=1S/C23H15F2N5O/c24-19-10-9-15(11-20(19)25)14-30-28-22(27-29-30)17-7-4-8-18(12-17)23-26-13-21(31-23)16-5-2-1-3-6-16/h1-13H,14H2
InChIKeyCGCVAILJOFFFMY-UHFFFAOYSA-N
XLogP4.99
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole (CID 68978444) is 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole is Fc1ccc(Cn2nnc(-c3cccc(-c4ncc(-c5ccccc5)o4)c3)n2)cc1F.
What is the InChIKey of 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole?
The InChIKey is CGCVAILJOFFFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O/c24-19-10-9-15(11-20(19)25)14-30-28-22(27-29-30)17-7-4-8-18(12-17)23-26-13-21(31-23)16-5-2-1-3-6-16/h1-13H,14H2.
What are the key properties of 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole?
2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole has a molecular weight of 415.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 68978444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).