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

C17H24N4O3 — CID 126778219

IUPAC1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESCc1ccccc1Cc1nnn(CC(O)COC2CCOCC2)n1
InChIInChI=1S/C17H24N4O3/c1-13-4-2-3-5-14(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
InChIKeyBPOGIFONMILBMT-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.13
Rot. Bonds7

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

1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 126778219) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
PubChem CID126778219
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESCc1ccccc1Cc1nnn(CC(O)COC2CCOCC2)n1
InChIInChI=1S/C17H24N4O3/c1-13-4-2-3-5-14(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
InChIKeyBPOGIFONMILBMT-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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Related Compounds

1-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
CID 126778194
1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-methylsulfanylpropan-2-ol
CID 119036682
1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol
CID 154751324
2-(2-ethoxyethyl)-5-[(2-methylphenyl)methyl]tetrazole
CID 75453553
5-[(2-methylphenyl)methyl]-2-prop-2-enyltetrazole
CID 71912837
2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 146129081
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]ethanone
CID 146091308
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
6-chloro-3-[2-hydroxy-3-(oxan-4-yloxy)propyl]-1,2,3-benzotriazin-4-one
CID 167861463
3-[[5-[(2-methylphenyl)methyl]tetrazol-2-yl]methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 154840775
1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol
CID 166178994

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The IUPAC name of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol (CID 126778219) is 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol is Cc1ccccc1Cc1nnn(CC(O)COC2CCOCC2)n1.
What is the InChIKey of 1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
The InChIKey is BPOGIFONMILBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-4-2-3-5-14(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-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol?
1-[5-[(2-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-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 126778219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).