N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

C15H16N2O5S — CID 110680868

IUPACN-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O5S/c1-17-13(14(18)16-11-7-8-23(20,21)9-11)12(15(19)22-17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)
InChIKeyDVGAPIZVSDKPRR-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.56
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680868) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680868
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O5S/c1-17-13(14(18)16-11-7-8-23(20,21)9-11)12(15(19)22-17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18)
InChIKeyDVGAPIZVSDKPRR-UHFFFAOYSA-N
XLogP0.56
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680876
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 96556888
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 27307489
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710336
N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 40946836
N-(1,1-dioxothiolan-3-yl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332099

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680868) is N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DVGAPIZVSDKPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-17-13(14(18)16-11-7-8-23(20,21)9-11)12(15(19)22-17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).