2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole

C14H18N2O2 — CID 126500067

IUPAC2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCOc1c(-c2nnc(C)o2)cccc1C(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-9-15-16-13(18-9)10-7-6-8-11(12(10)17-5)14(2,3)4/h6-8H,1-5H3
InChIKeyMKIUXKOXVURFPF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole

2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 126500067) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
PubChem CID126500067
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole
SMILESCOc1c(-c2nnc(C)o2)cccc1C(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-9-15-16-13(18-9)10-7-6-8-11(12(10)17-5)14(2,3)4/h6-8H,1-5H3
InChIKeyMKIUXKOXVURFPF-UHFFFAOYSA-N
XLogP3.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole (CID 126500067) is 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole is COc1c(-c2nnc(C)o2)cccc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is MKIUXKOXVURFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-15-16-13(18-9)10-7-6-8-11(12(10)17-5)14(2,3)4/h6-8H,1-5H3.
What are the key properties of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole?
2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 246.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 126500067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).