5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

C18H19N3O2S — CID 10154391

IUPAC5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2c(-c3cccs3)noc2N)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)11-6-8-12(9-7-11)20-17(22)14-15(21-23-16(14)19)13-5-4-10-24-13/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyFIJJZVSNYPRFAK-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.54
Rot. Bonds3

About 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide

5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 10154391) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID10154391
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2c(-c3cccs3)noc2N)cc1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)11-6-8-12(9-7-11)20-17(22)14-15(21-23-16(14)19)13-5-4-10-24-13/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyFIJJZVSNYPRFAK-UHFFFAOYSA-N
XLogP4.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-tert-butylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazole-4-carboxamide
CID 90969827
5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91343042
6-amino-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 62239244
1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563880
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91497694
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 10154391) is 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2c(-c3cccs3)noc2N)cc1.
What is the InChIKey of 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FIJJZVSNYPRFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)11-6-8-12(9-7-11)20-17(22)14-15(21-23-16(14)19)13-5-4-10-24-13/h4-10H,19H2,1-3H3,(H,20,22).
What are the key properties of 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide?
5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10154391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).