3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one

C16H13N5O3 — CID 46484033

IUPAC3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13N5O3/c22-16-20(14-3-1-2-4-15(14)24-16)9-10-23-13-7-5-12(6-8-13)21-11-17-18-19-21/h1-8,11H,9-10H2
InChIKeyIPCBDHWNNWHHQA-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.65
Rot. Bonds5

About 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one

3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one (PubChem CID 46484033) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
PubChem CID46484033
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H13N5O3/c22-16-20(14-3-1-2-4-15(14)24-16)9-10-23-13-7-5-12(6-8-13)21-11-17-18-19-21/h1-8,11H,9-10H2
InChIKeyIPCBDHWNNWHHQA-UHFFFAOYSA-N
XLogP1.65
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
CID 8566135
2-[4-[4-(tetrazol-1-yl)phenoxy]butyl]isoindole-1,3-dione
CID 67598186
(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163891673
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
diethyl 2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]propanedioate
CID 10295973
3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 46573434
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methyl]propanoic acid
CID 10179028
2-(4-fluorophenoxy)ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727481
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
3-[3-(3-aminophenoxy)propyl]-1,3-benzoxazol-2-one
CID 43365775

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one (CID 46484033) is 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCOc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is IPCBDHWNNWHHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-16-20(14-3-1-2-4-15(14)24-16)9-10-23-13-7-5-12(6-8-13)21-11-17-18-19-21/h1-8,11H,9-10H2.
What are the key properties of 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one?
3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 323.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46484033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).