N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

C18H22N2O4S — CID 110411840

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1
InChIInChI=1S/C18H22N2O4S/c1-12-6-4-5-7-15(12)18-19-16(13(2)24-18)10-17(21)20(3)14-8-9-25(22,23)11-14/h4-7,14H,8-11H2,1-3H3
InChIKeyRMWQVJDHAODULV-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.15
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110411840) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110411840
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1ccccc1-c1nc(CC(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1
InChIInChI=1S/C18H22N2O4S/c1-12-6-4-5-7-15(12)18-19-16(13(2)24-18)10-17(21)20(3)14-8-9-25(22,23)11-14/h4-7,14H,8-11H2,1-3H3
InChIKeyRMWQVJDHAODULV-UHFFFAOYSA-N
XLogP2.15
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110371797
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
CID 51124309
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7556449
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 127115901
2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001910
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7683099
N-ethyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651991
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690829
2-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238248
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110629519
2-(3-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113098206

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110411840) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is Cc1ccccc1-c1nc(CC(=O)N(C)C2CCS(=O)(=O)C2)c(C)o1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is RMWQVJDHAODULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-6-4-5-7-15(12)18-19-16(13(2)24-18)10-17(21)20(3)14-8-9-25(22,23)11-14/h4-7,14H,8-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110411840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).