3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole

C20H13N5O2 — CID 170102255

IUPAC3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
SMILESc1ccc(Oc2ccc(-c3onc4ccc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25)
InChIKeyRMVHXXZAXAMVLU-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.47
Rot. Bonds4

About 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole

3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole (PubChem CID 170102255) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
PubChem CID170102255
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
SMILESc1ccc(Oc2ccc(-c3onc4ccc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25)
InChIKeyRMVHXXZAXAMVLU-UHFFFAOYSA-N
XLogP4.47
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The IUPAC name of 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole (CID 170102255) is 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole is c1ccc(Oc2ccc(-c3onc4ccc(-c5nn[nH]n5)cc34)cc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The InChIKey is RMVHXXZAXAMVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25).
What are the key properties of 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole has a molecular weight of 355.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole is sourced from PubChem (CID 170102255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).