2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol

C18H23N5O3 — CID 516136

IUPAC2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCO)no1
InChIInChI=1S/C18H23N5O3/c1-12-9-14(18-19-22-23(3)20-18)10-13(2)17(12)25-8-4-5-16-11-15(6-7-24)21-26-16/h9-11,24H,4-8H2,1-3H3
InChIKeyZMOQHVOARGFUOE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.03
Rot. Bonds8

About 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol

2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 516136) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
PubChem CID516136
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCO)no1
InChIInChI=1S/C18H23N5O3/c1-12-9-14(18-19-22-23(3)20-18)10-13(2)17(12)25-8-4-5-16-11-15(6-7-24)21-26-16/h9-11,24H,4-8H2,1-3H3
InChIKeyZMOQHVOARGFUOE-UHFFFAOYSA-N
XLogP2.03
TPSA99.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol (CID 516136) is 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol is Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc(CCO)no1.
What is the InChIKey of 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is ZMOQHVOARGFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-9-14(18-19-22-23(3)20-18)10-13(2)17(12)25-8-4-5-16-11-15(6-7-24)21-26-16/h9-11,24H,4-8H2,1-3H3.
What are the key properties of 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 357.41 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 516136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).