2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole

C21H15N5O2 — CID 11552415

IUPAC2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ccc4cc(OCc5nn[nH]n5)ccc4c3)o2)cc1
InChIInChI=1S/C21H15N5O2/c1-2-4-14(5-3-1)21-22-12-19(28-21)17-7-6-16-11-18(9-8-15(16)10-17)27-13-20-23-25-26-24-20/h1-12H,13H2,(H,23,24,25,26)
InChIKeyMPCXCEVAVKDTOI-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.25
Rot. Bonds5

About 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole

2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole (PubChem CID 11552415) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole
PubChem CID11552415
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ccc4cc(OCc5nn[nH]n5)ccc4c3)o2)cc1
InChIInChI=1S/C21H15N5O2/c1-2-4-14(5-3-1)21-22-12-19(28-21)17-7-6-16-11-18(9-8-15(16)10-17)27-13-20-23-25-26-24-20/h1-12H,13H2,(H,23,24,25,26)
InChIKeyMPCXCEVAVKDTOI-UHFFFAOYSA-N
XLogP4.25
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole?
The IUPAC name of 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole (CID 11552415) is 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole is c1ccc(-c2ncc(-c3ccc4cc(OCc5nn[nH]n5)ccc4c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole?
The InChIKey is MPCXCEVAVKDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-2-4-14(5-3-1)21-22-12-19(28-21)17-7-6-16-11-18(9-8-15(16)10-17)27-13-20-23-25-26-24-20/h1-12H,13H2,(H,23,24,25,26).
What are the key properties of 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole?
2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole has a molecular weight of 369.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 11552415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).