2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide

C12H19N3O3 — CID 146082741

IUPAC2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)10-13-18-11(17)15(10)7-9(16)14(4)8-5-6-8/h8H,5-7H2,1-4H3
InChIKeyCGNLTZLRGFTLSS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.75
Rot. Bonds3

About 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 146082741) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID146082741
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)10-13-18-11(17)15(10)7-9(16)14(4)8-5-6-8/h8H,5-7H2,1-4H3
InChIKeyCGNLTZLRGFTLSS-UHFFFAOYSA-N
XLogP0.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Tert-butyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146075504
N-methyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146075514
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
CID 146082711
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-ethylacetamide
CID 146082713
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-propan-2-ylacetamide
CID 146082763
N-cyclopropyl-N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082764
N-cyclopropyl-N-methyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082785
N,N-diethyl-2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 146082825
4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
CID 146082887

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide (CID 146082741) is 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is CGNLTZLRGFTLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)10-13-18-11(17)15(10)7-9(16)14(4)8-5-6-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide?
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 253.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 146082741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).