2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H16N2O4S — CID 110774353

IUPAC2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)CCCS3(=O)=O)no1
InChIInChI=1S/C15H16N2O4S/c1-10-7-14(17-21-10)16-15(18)9-11-4-5-13-12(8-11)3-2-6-22(13,19)20/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,17,18)
InChIKeyOBQJRXJLVFPEPK-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.88
Rot. Bonds3

About 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110774353) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110774353
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc3c(c2)CCCS3(=O)=O)no1
InChIInChI=1S/C15H16N2O4S/c1-10-7-14(17-21-10)16-15(18)9-11-4-5-13-12(8-11)3-2-6-22(13,19)20/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,17,18)
InChIKeyOBQJRXJLVFPEPK-UHFFFAOYSA-N
XLogP1.88
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(2-fluorophenyl)acetamide
CID 110774336
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
N-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110787019
N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774350
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772058
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47332378
N-(5-methyl-1,2-oxazol-3-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8876832
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110774300
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110774353) is 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2ccc3c(c2)CCCS3(=O)=O)no1.
What is the InChIKey of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OBQJRXJLVFPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-10-7-14(17-21-10)16-15(18)9-11-4-5-13-12(8-11)3-2-6-22(13,19)20/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,17,18).
What are the key properties of 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110774353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).