N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

C19H21N3O3 — CID 6459151

IUPACN-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C19H21N3O3/c1-12(20-17(23)15-6-5-11-24-15)18-21-16(22-25-18)13-7-9-14(10-8-13)19(2,3)4/h5-12H,1-4H3,(H,20,23)
InChIKeyLXUFZDKBJGDCHM-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.12
Rot. Bonds4

About N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide

N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 6459151) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID6459151
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C19H21N3O3/c1-12(20-17(23)15-6-5-11-24-15)18-21-16(22-25-18)13-7-9-14(10-8-13)19(2,3)4/h5-12H,1-4H3,(H,20,23)
InChIKeyLXUFZDKBJGDCHM-UHFFFAOYSA-N
XLogP4.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 6459151) is N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is LXUFZDKBJGDCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(20-17(23)15-6-5-11-24-15)18-21-16(22-25-18)13-7-9-14(10-8-13)19(2,3)4/h5-12H,1-4H3,(H,20,23).
What are the key properties of N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide?
N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6459151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).