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

C18H19N3O2S — CID 172709806

IUPACN-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)13-8-6-12(7-9-13)11-19-15(22)17-21-20-16(23-17)14-5-4-10-24-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyFCBAHEKQFAPOCZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.03
Rot. Bonds4

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

N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 172709806) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID172709806
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)13-8-6-12(7-9-13)11-19-15(22)17-21-20-16(23-17)14-5-4-10-24-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyFCBAHEKQFAPOCZ-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 57303116
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 57081749
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9375414

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 172709806) is N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FCBAHEKQFAPOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)13-8-6-12(7-9-13)11-19-15(22)17-21-20-16(23-17)14-5-4-10-24-14/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 172709806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).