(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide

C15H12N2O3S — CID 110410928

IUPAC(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O3S/c1-9(7-11-3-2-6-21-11)14(18)16-10-4-5-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19)/b9-7+
InChIKeyMFODCINWEDNJCG-VQHVLOKHSA-N
MW300.34 g/mol
LogP3.22
Rot. Bonds3

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

(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 110410928) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID110410928
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O3S/c1-9(7-11-3-2-6-21-11)14(18)16-10-4-5-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19)/b9-7+
InChIKeyMFODCINWEDNJCG-VQHVLOKHSA-N
XLogP3.22
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
CID 134019751
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38467487
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrole-2-carboxamide
CID 134020024
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110615133
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
CID 134019850
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 110410928) is (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MFODCINWEDNJCG-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9(7-11-3-2-6-21-11)14(18)16-10-4-5-13-12(8-10)17-15(19)20-13/h2-8H,1H3,(H,16,18)(H,17,19)/b9-7+.
What are the key properties of (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 300.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110410928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).