1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol

C17H24N4O3 — CID 126778194

IUPAC1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESCc1ccc(Cc2nnn(CC(O)COC3CCOCC3)n2)cc1
InChIInChI=1S/C17H24N4O3/c1-13-2-4-14(5-3-13)10-17-18-20-21(19-17)11-15(22)12-24-16-6-8-23-9-7-16/h2-5,15-16,22H,6-12H2,1H3
InChIKeyUOYNOJHTXQCETN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.13
Rot. Bonds7

About 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol

1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 126778194) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
PubChem CID126778194
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESCc1ccc(Cc2nnn(CC(O)COC3CCOCC3)n2)cc1
InChIInChI=1S/C17H24N4O3/c1-13-2-4-14(5-3-13)10-17-18-20-21(19-17)11-15(22)12-24-16-6-8-23-9-7-16/h2-5,15-16,22H,6-12H2,1H3
InChIKeyUOYNOJHTXQCETN-UHFFFAOYSA-N
XLogP1.13
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The IUPAC name of 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol (CID 126778194) is 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol is Cc1ccc(Cc2nnn(CC(O)COC3CCOCC3)n2)cc1.
What is the InChIKey of 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The InChIKey is UOYNOJHTXQCETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-2-4-14(5-3-13)10-17-18-20-21(19-17)11-15(22)12-24-16-6-8-23-9-7-16/h2-5,15-16,22H,6-12H2,1H3.
What are the key properties of 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol has a molecular weight of 332.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 126778194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).