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

C15H12N2O2S2 — CID 2739801

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide
SMILESCc1cc(NC(=O)C(=Cc2cccs2)c2ccsc2)no1
InChIInChI=1S/C15H12N2O2S2/c1-10-7-14(17-19-10)16-15(18)13(11-4-6-20-9-11)8-12-3-2-5-21-12/h2-9H,1H3,(H,16,17,18)
InChIKeyMNOSJKOEISMCKJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.29
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide (PubChem CID 2739801) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide
PubChem CID2739801
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide
SMILESCc1cc(NC(=O)C(=Cc2cccs2)c2ccsc2)no1
InChIInChI=1S/C15H12N2O2S2/c1-10-7-14(17-19-10)16-15(18)13(11-4-6-20-9-11)8-12-3-2-5-21-12/h2-9H,1H3,(H,16,17,18)
InChIKeyMNOSJKOEISMCKJ-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.29
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 N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide (CID 2739801) is N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide is Cc1cc(NC(=O)C(=Cc2cccs2)c2ccsc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide?
The InChIKey is MNOSJKOEISMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-10-7-14(17-19-10)16-15(18)13(11-4-6-20-9-11)8-12-3-2-5-21-12/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide has a molecular weight of 316.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 2739801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).