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

C8H10N2O2S — CID 131234501

IUPAC(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide
SMILESCS/C=C/C(=O)Nc1ncc(C)o1
InChIInChI=1S/C8H10N2O2S/c1-6-5-9-8(12-6)10-7(11)3-4-13-2/h3-5H,1-2H3,(H,9,10,11)/b4-3+
InChIKeyFOGFRPZEXFFSRI-ONEGZZNKSA-N
MW198.25 g/mol
LogP1.80
Rot. Bonds3

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

(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide (PubChem CID 131234501) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide
PubChem CID131234501
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide
SMILESCS/C=C/C(=O)Nc1ncc(C)o1
InChIInChI=1S/C8H10N2O2S/c1-6-5-9-8(12-6)10-7(11)3-4-13-2/h3-5H,1-2H3,(H,9,10,11)/b4-3+
InChIKeyFOGFRPZEXFFSRI-ONEGZZNKSA-N
XLogP1.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.80
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-1,3-oxazol-2-yl)cyclobutanecarboxamide
CID 131203623
(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75533591
(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide
CID 167914324
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-(5-methyl-1,3-oxazol-2-yl)urea
CID 95786606
5-methyl-N-propan-2-yl-1,3-oxazol-2-amine
CID 90064526
[5-(trifluoromethyl)-1,3-oxazol-2-yl]carbamic acid
CID 90286256
ethane;5-methyl-1,3-oxazole-2-carboxamide
CID 143888813
(5-methyl-1,3-oxazol-2-yl)cyanamide
CID 119091426
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(5-methyl-1,3-oxazol-2-yl)propanamide
CID 167880755
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71962543
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 137362627
N-(5-tert-butyl-1,3-oxazol-2-yl)-2-chloroacetamide
CID 102543607

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide?
The IUPAC name of (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide (CID 131234501) is (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide?
The canonical SMILES for (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide is CS/C=C/C(=O)Nc1ncc(C)o1.
What is the InChIKey of (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide?
The InChIKey is FOGFRPZEXFFSRI-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-6-5-9-8(12-6)10-7(11)3-4-13-2/h3-5H,1-2H3,(H,9,10,11)/b4-3+.
What are the key properties of (E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide?
(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide has a molecular weight of 198.25 g/mol, XLogP of 1.80, 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-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide is sourced from PubChem (CID 131234501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).