N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

C12H18N2O4S — CID 126841566

IUPACN-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCn1oc(=O)cc1NC(=O)CSCC1CCCCO1
InChIInChI=1S/C12H18N2O4S/c1-14-10(6-12(16)18-14)13-11(15)8-19-7-9-4-2-3-5-17-9/h6,9H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyRMBDCIMUHDOYDE-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.22
Rot. Bonds5

About N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 126841566) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID126841566
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCn1oc(=O)cc1NC(=O)CSCC1CCCCO1
InChIInChI=1S/C12H18N2O4S/c1-14-10(6-12(16)18-14)13-11(15)8-19-7-9-4-2-3-5-17-9/h6,9H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyRMBDCIMUHDOYDE-UHFFFAOYSA-N
XLogP1.22
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-1-methylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126833040
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 136557584
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126832616
N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 124605923
N-[5-cyano-2-(methylamino)phenyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 129486600
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 124606152
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124615544
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 106494309
(2R)-2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]-3-phenylpropanoic acid
CID 119367033
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 126841566) is N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is Cn1oc(=O)cc1NC(=O)CSCC1CCCCO1.
What is the InChIKey of N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is RMBDCIMUHDOYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-14-10(6-12(16)18-14)13-11(15)8-19-7-9-4-2-3-5-17-9/h6,9H,2-5,7-8H2,1H3,(H,13,15).
What are the key properties of N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 126841566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).