methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate

C15H18N2O3 — CID 162060004

IUPACmethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nnc(C(C)(C)C)o2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-8-10(6-7-11(9)13(18)19-5)12-16-17-14(20-12)15(2,3)4/h6-8H,1-5H3
InChIKeyBODNSGKLQXZWDT-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.13
Rot. Bonds2

About methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate

methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate (PubChem CID 162060004) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
PubChem CID162060004
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nnc(C(C)(C)C)o2)cc1C
InChIInChI=1S/C15H18N2O3/c1-9-8-10(6-7-11(9)13(18)19-5)12-16-17-14(20-12)15(2,3)4/h6-8H,1-5H3
InChIKeyBODNSGKLQXZWDT-UHFFFAOYSA-N
XLogP3.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060001
methyl 4-[5-(3,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 58104852
methyl 4-(5-bromopyrazin-2-yl)-2-methylbenzoate
CID 135375330
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 17171831
methyl 4-ethynyl-2-methylbenzoate
CID 22125950
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17171735
methyl 4-(4-tert-butylphenoxy)-2-methylbenzoate
CID 135375152
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 115353901
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
lithium;4-cyano-2-methylbenzoic acid;methyl 4-cyano-2-methylbenzoate;hydroxide;hydrate
CID 158915080

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The IUPAC name of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate (CID 162060004) is methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate is COC(=O)c1ccc(-c2nnc(C(C)(C)C)o2)cc1C.
What is the InChIKey of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
The InChIKey is BODNSGKLQXZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-8-10(6-7-11(9)13(18)19-5)12-16-17-14(20-12)15(2,3)4/h6-8H,1-5H3.
What are the key properties of methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate?
methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate has a molecular weight of 274.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate is sourced from PubChem (CID 162060004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).