[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

C18H24N2O4 — CID 99644909

IUPAC[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCc1nnc([C@@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1
InChIInChI=1S/C18H24N2O4/c1-9(2)13-7-14(10(3)4)16(21)15(8-13)18(22)23-11(5)17-20-19-12(6)24-17/h7-11,21H,1-6H3/t11-/m1/s1
InChIKeyPXHPLBLUPCFCAP-LLVKDONJSA-N
MW332.40 g/mol
LogP4.25
Rot. Bonds5

About [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 99644909) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID99644909
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCc1nnc([C@@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1
InChIInChI=1S/C18H24N2O4/c1-9(2)13-7-14(10(3)4)16(21)15(8-13)18(22)23-11(5)17-20-19-12(6)24-17/h7-11,21H,1-6H3/t11-/m1/s1
InChIKeyPXHPLBLUPCFCAP-LLVKDONJSA-N
XLogP4.25
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate with MolForge

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Related Compounds

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-chloro-2-ethylsulfanylbenzoate
CID 84600040
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 42903540
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 75513033
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-2-oxo-1,3-benzoxazole-7-carboxylate
CID 97327760
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
CID 155949460
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate
CID 99702824
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate
CID 94942769
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 18078321
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 75508983

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 99644909) is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is Cc1nnc([C@@H](C)OC(=O)c2cc(C(C)C)cc(C(C)C)c2O)o1.
What is the InChIKey of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is PXHPLBLUPCFCAP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-9(2)13-7-14(10(3)4)16(21)15(8-13)18(22)23-11(5)17-20-19-12(6)24-17/h7-11,21H,1-6H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 332.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 99644909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).