N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C13H14N2O5S — CID 110773979

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O5S/c16-12(14-9-3-4-21(18,19)7-9)6-8-1-2-11-10(5-8)15-13(17)20-11/h1-2,5,9H,3-4,6-7H2,(H,14,16)(H,15,17)
InChIKeyIVOIOFDMALPDNF-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.03
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110773979) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110773979
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O5S/c16-12(14-9-3-4-21(18,19)7-9)6-8-1-2-11-10(5-8)15-13(17)20-11/h1-2,5,9H,3-4,6-7H2,(H,14,16)(H,15,17)
InChIKeyIVOIOFDMALPDNF-UHFFFAOYSA-N
XLogP-0.03
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390427
2-(1,3-benzoxazol-6-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110771780
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110774382
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 40643679
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110773979) is N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccc2oc(=O)[nH]c2c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is IVOIOFDMALPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c16-12(14-9-3-4-21(18,19)7-9)6-8-1-2-11-10(5-8)15-13(17)20-11/h1-2,5,9H,3-4,6-7H2,(H,14,16)(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 310.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110773979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).