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

C18H19N3O3 — CID 6492239

IUPACN-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)13-8-6-12(7-9-13)16-20-15(24-21-16)11-19-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyZSLQAHLRAUQQSK-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.56
Rot. Bonds4

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

N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 6492239) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
PubChem CID6492239
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C18H19N3O3/c1-18(2,3)13-8-6-12(7-9-13)16-20-15(24-21-16)11-19-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyZSLQAHLRAUQQSK-UHFFFAOYSA-N
XLogP3.56
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide (CID 6492239) is N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is ZSLQAHLRAUQQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18(2,3)13-8-6-12(7-9-13)16-20-15(24-21-16)11-19-17(22)14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 6492239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).