5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one

C15H23N3O3 — CID 71851327

IUPAC5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCC(c1ncc(C(C)(C)C)o1)n1nc(C(C)(C)C)oc1=O
InChIInChI=1S/C15H23N3O3/c1-9(11-16-8-10(20-11)14(2,3)4)18-13(19)21-12(17-18)15(5,6)7/h8-9H,1-7H3
InChIKeyYKIUWHOMDYYDIG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.03
Rot. Bonds2

About 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one

5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 71851327) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID71851327
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCC(c1ncc(C(C)(C)C)o1)n1nc(C(C)(C)C)oc1=O
InChIInChI=1S/C15H23N3O3/c1-9(11-16-8-10(20-11)14(2,3)4)18-13(19)21-12(17-18)15(5,6)7/h8-9H,1-7H3
InChIKeyYKIUWHOMDYYDIG-UHFFFAOYSA-N
XLogP3.03
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-tert-butyl-2-[1-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,3-oxazole
CID 71971726
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496
5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 71918132
5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 97220182
5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
CID 126787212
5-tert-butyl-2-[(1R)-1-[(2R)-1-methoxypropan-2-yl]sulfanylethyl]-1,3-oxazole
CID 97031144
[2-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethylsulfonyl]-3-methylimidazol-4-yl]methanol
CID 75497616
5-tert-butyl-3-(2-hydroxyethyl)-1,3,4-oxadiazol-2-one
CID 130992051
3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95787176
N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181793

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one (CID 71851327) is 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one is CC(c1ncc(C(C)(C)C)o1)n1nc(C(C)(C)C)oc1=O.
What is the InChIKey of 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is YKIUWHOMDYYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(11-16-8-10(20-11)14(2,3)4)18-13(19)21-12(17-18)15(5,6)7/h8-9H,1-7H3.
What are the key properties of 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one?
5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 71851327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).