3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

C14H19N5O2 — CID 81095284

IUPAC3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCOc1cc(N)cc(-c2nnnn2C(C)C2CCCO2)c1
InChIInChI=1S/C14H19N5O2/c1-9(13-4-3-5-21-13)19-14(16-17-18-19)10-6-11(15)8-12(7-10)20-2/h6-9,13H,3-5,15H2,1-2H3
InChIKeyUOIDUOAEOCMHDI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds4

About 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline

3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (PubChem CID 81095284) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
PubChem CID81095284
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
SMILESCOc1cc(N)cc(-c2nnnn2C(C)C2CCCO2)c1
InChIInChI=1S/C14H19N5O2/c1-9(13-4-3-5-21-13)19-14(16-17-18-19)10-6-11(15)8-12(7-10)20-2/h6-9,13H,3-5,15H2,1-2H3
InChIKeyUOIDUOAEOCMHDI-UHFFFAOYSA-N
XLogP1.67
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline (CID 81095284) is 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is COc1cc(N)cc(-c2nnnn2C(C)C2CCCO2)c1.
What is the InChIKey of 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
The InChIKey is UOIDUOAEOCMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(13-4-3-5-21-13)19-14(16-17-18-19)10-6-11(15)8-12(7-10)20-2/h6-9,13H,3-5,15H2,1-2H3.
What are the key properties of 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline?
3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline has a molecular weight of 289.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 81095284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).