(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide

C11H10N2O2S — CID 845123

IUPAC(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccs2)no1
InChIInChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+
InChIKeySDVGJCDEGVELKR-SNAWJCMRSA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

About (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 845123) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID845123
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cccs2)no1
InChIInChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+
InChIKeySDVGJCDEGVELKR-SNAWJCMRSA-N
XLogP2.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1245228
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
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-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
N-(5-Methyl-isoxazol-3-yl)-4-(4-oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyramide
CID 1632274
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084474
N-3-isoxazolyl-5-methyl-3-thiophenecarboxamide
CID 1246798
N-(5-methyl-1,2-oxazol-3-yl)-2-(phenylsulfanyl)acetamide
CID 700938

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide (CID 845123) is (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide is Cc1cc(NC(=O)/C=C/c2cccs2)no1.
What is the InChIKey of (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SDVGJCDEGVELKR-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+.
What are the key properties of (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).