3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

C16H27N3O3 — CID 51082534

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H27N3O3/c1-5-19(10-12-8-9-21-11-12)14(20)7-6-13-17-15(18-22-13)16(2,3)4/h12H,5-11H2,1-4H3
InChIKeyWVSXFYDQTVSKAH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.18
Rot. Bonds6

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51082534) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51082534
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C16H27N3O3/c1-5-19(10-12-8-9-21-11-12)14(20)7-6-13-17-15(18-22-13)16(2,3)4/h12H,5-11H2,1-4H3
InChIKeyWVSXFYDQTVSKAH-UHFFFAOYSA-N
XLogP2.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (CID 51082534) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is CCN(CC1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is WVSXFYDQTVSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-5-19(10-12-8-9-21-11-12)14(20)7-6-13-17-15(18-22-13)16(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51082534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).