4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

C20H21N3O2S — CID 90607888

IUPAC4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H21N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18(24)21-15-10-11-26-16(15)19-22-17(23-25-19)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyWOWZIFHTCXLIEO-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.23
Rot. Bonds4

About 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 90607888) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
PubChem CID90607888
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C20H21N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18(24)21-15-10-11-26-16(15)19-22-17(23-25-19)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyWOWZIFHTCXLIEO-UHFFFAOYSA-N
XLogP5.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
CID 90607912
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90608052
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
CID 90607895
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(trifluoromethoxy)benzamide
CID 90608061

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (CID 90607888) is 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is WOWZIFHTCXLIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-20(2,3)14-8-6-13(7-9-14)18(24)21-15-10-11-26-16(15)19-22-17(23-25-19)12-4-5-12/h6-12H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 90607888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).