3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide

C28H26N6O2 — CID 26282947

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(-n2cnnn2)c1
InChIInChI=1S/C28H26N6O2/c1-19-27(20(2)36-31-19)23-15-24(17-25(16-23)34-18-30-32-33-34)28(35)29-14-13-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18,26H,13-14H2,1-2H3,(H,29,35)
InChIKeyPSJGGSIWARIJMF-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.89
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 26282947) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide
PubChem CID26282947
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(-n2cnnn2)c1
InChIInChI=1S/C28H26N6O2/c1-19-27(20(2)36-31-19)23-15-24(17-25(16-23)34-18-30-32-33-34)28(35)29-14-13-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18,26H,13-14H2,1-2H3,(H,29,35)
InChIKeyPSJGGSIWARIJMF-UHFFFAOYSA-N
XLogP4.89
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide (CID 26282947) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide is Cc1noc(C)c1-c1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is PSJGGSIWARIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-19-27(20(2)36-31-19)23-15-24(17-25(16-23)34-18-30-32-33-34)28(35)29-14-13-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-18,26H,13-14H2,1-2H3,(H,29,35).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 478.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26282947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).