(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one

C11H10N2O2S — CID 56692189

IUPAC(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1oncc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C11H10N2O2S/c1-8-9(7-13-15-8)12-5-4-10(14)11-3-2-6-16-11/h2-7,12H,1H3/b5-4+
InChIKeyUJUSTPUYRDEMTQ-SNAWJCMRSA-N
MW234.28 g/mol
LogP2.85
Rot. Bonds4

About (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one

(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 56692189) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID56692189
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1oncc1N/C=C/C(=O)c1cccs1
InChIInChI=1S/C11H10N2O2S/c1-8-9(7-13-15-8)12-5-4-10(14)11-3-2-6-16-11/h2-7,12H,1H3/b5-4+
InChIKeyUJUSTPUYRDEMTQ-SNAWJCMRSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one (CID 56692189) is (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one is Cc1oncc1N/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is UJUSTPUYRDEMTQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-9(7-13-15-8)12-5-4-10(14)11-3-2-6-16-11/h2-7,12H,1H3/b5-4+.
What are the key properties of (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 234.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(5-methyl-1,2-oxazol-4-yl)amino]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 56692189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).