4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole

C23H21N5O — CID 155672446

IUPAC4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole
SMILESC1=NNN(CC2(c3ccccc3)COC(c3ccc(-c4ccccc4)cc3)=N2)N1
InChIInChI=1S/C23H21N5O/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-26-23(16-29-22,15-28-25-17-24-27-28)21-9-5-2-6-10-21/h1-14,17,27H,15-16H2,(H,24,25)
InChIKeyOGLAHQNDFOEYAO-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.29
Rot. Bonds5

About 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole

4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole (PubChem CID 155672446) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole
PubChem CID155672446
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole
SMILESC1=NNN(CC2(c3ccccc3)COC(c3ccc(-c4ccccc4)cc3)=N2)N1
InChIInChI=1S/C23H21N5O/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-26-23(16-29-22,15-28-25-17-24-27-28)21-9-5-2-6-10-21/h1-14,17,27H,15-16H2,(H,24,25)
InChIKeyOGLAHQNDFOEYAO-UHFFFAOYSA-N
XLogP3.29
TPSA61.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole?
The IUPAC name of 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole (CID 155672446) is 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole?
The canonical SMILES for 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole is C1=NNN(CC2(c3ccccc3)COC(c3ccc(-c4ccccc4)cc3)=N2)N1.
What is the InChIKey of 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole?
The InChIKey is OGLAHQNDFOEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-3-7-18(8-4-1)19-11-13-20(14-12-19)22-26-23(16-29-22,15-28-25-17-24-27-28)21-9-5-2-6-10-21/h1-14,17,27H,15-16H2,(H,24,25).
What are the key properties of 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole?
4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole has a molecular weight of 383.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydrotetrazol-2-ylmethyl)-4-phenyl-2-(4-phenylphenyl)-5H-1,3-oxazole is sourced from PubChem (CID 155672446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).