4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide

C20H29N3O4 — CID 55897724

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1OCCN(C)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)19-21-17(27-22-19)11-8-12-18(24)23(4)13-14-26-16-10-7-6-9-15(16)25-5/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyQPFXCBDDFYRBOC-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.24
Rot. Bonds9

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide (PubChem CID 55897724) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide
PubChem CID55897724
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1OCCN(C)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)19-21-17(27-22-19)11-8-12-18(24)23(4)13-14-26-16-10-7-6-9-15(16)25-5/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyQPFXCBDDFYRBOC-UHFFFAOYSA-N
XLogP3.24
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide (CID 55897724) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide is COc1ccccc1OCCN(C)C(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide?
The InChIKey is QPFXCBDDFYRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,3)19-21-17(27-22-19)11-8-12-18(24)23(4)13-14-26-16-10-7-6-9-15(16)25-5/h6-7,9-10H,8,11-14H2,1-5H3.
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide has a molecular weight of 375.47 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 55897724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).