5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole

C15H14N4O2 — CID 3142138

IUPAC5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole
SMILESCOc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2/c1-20-13-7-9-14(10-8-13)21-11-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQRHULAQRZUIPSK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.25
Rot. Bonds5

About 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole

5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole (PubChem CID 3142138) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole
PubChem CID3142138
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole
SMILESCOc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4O2/c1-20-13-7-9-14(10-8-13)21-11-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQRHULAQRZUIPSK-UHFFFAOYSA-N
XLogP2.25
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole (CID 3142138) is 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole is COc1ccc(OCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole?
The InChIKey is QRHULAQRZUIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-13-7-9-14(10-8-13)21-11-15-16-17-18-19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole?
5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole has a molecular weight of 282.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1-phenyltetrazole is sourced from PubChem (CID 3142138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).