5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide

C11H10N2O2S — CID 1204323

IUPAC5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCSc1oc(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C11H10N2O2S/c1-16-11-8(9(12)14)13-10(15-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,14)
InChIKeyGDPWRAFBENRFGG-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.16
Rot. Bonds3

About 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide

5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 1204323) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID1204323
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCSc1oc(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C11H10N2O2S/c1-16-11-8(9(12)14)13-10(15-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,14)
InChIKeyGDPWRAFBENRFGG-UHFFFAOYSA-N
XLogP2.16
TPSA69.12 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 1204323) is 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide is CSc1oc(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is GDPWRAFBENRFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-11-8(9(12)14)13-10(15-11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide?
5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1204323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).