N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C12H14N2O2S — CID 1245228

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-12(2,3)9-7-10(14-16-9)13-11(15)8-5-4-6-17-8/h4-7H,1-3H3,(H,13,14,15)
InChIKeyWKOYGICWXHCJHQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.29
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 1245228) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID1245228
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccs2)no1
InChIInChI=1S/C12H14N2O2S/c1-12(2,3)9-7-10(14-16-9)13-11(15)8-5-4-6-17-8/h4-7H,1-3H3,(H,13,14,15)
InChIKeyWKOYGICWXHCJHQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-4-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-YL]butanamide
CID 1632275
N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322
N-(4-{[(5-methyl-3-isoxazolyl)amino]carbonyl}phenyl)-2-thiophenecarboxamide
CID 973273
N-(5-Methyl-isoxazol-3-yl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1632274
2-[(2-methoxyethyl)thio]-N-(5-methyl-3-isoxazolyl)benzamide
CID 2218470
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2589442
N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-(5-methyl-1,2-oxazol-3-yl)-2-(phenylsulfanyl)acetamide
CID 700938
N-(5-methyl-3-isoxazolyl)-3-(2-thienyl)acrylamide
CID 845123

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 1245228) is N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2cccs2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is WKOYGICWXHCJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(2,3)9-7-10(14-16-9)13-11(15)8-5-4-6-17-8/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1245228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).