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

C11H18N2O3S — CID 47394951

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCc1nc(CN(C)C2CCS(=O)(=O)C2)oc1C
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)16-11(12-8)6-13(3)10-4-5-17(14,15)7-10/h10H,4-7H2,1-3H3
InChIKeyJNAAEJAGNZTXBB-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.91
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 47394951) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID47394951
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCc1nc(CN(C)C2CCS(=O)(=O)C2)oc1C
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)16-11(12-8)6-13(3)10-4-5-17(14,15)7-10/h10H,4-7H2,1-3H3
InChIKeyJNAAEJAGNZTXBB-UHFFFAOYSA-N
XLogP0.91
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dimethyl-2-(1,4-thiazepan-4-ylmethyl)-1,3-oxazole
CID 84590606
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 164641614
4-methyl-5-[[(3S)-3-(methylsulfonylmethyl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-oxazole
CID 164643251
N-[[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]cyclopropanesulfonamide
CID 137876917
Propane;thiolane;2,4,5-trimethyl-1,3-oxazole
CID 91247463
2,5-Dimethyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
CID 123566359
4,5-Dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 47522442
2-[(4-Ethylsulfonylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 49609581
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-4-amine
CID 54882160
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
N-cyclohexyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55640098
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]methanesulfonamide
CID 56805603

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 47394951) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is Cc1nc(CN(C)C2CCS(=O)(=O)C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is JNAAEJAGNZTXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-9(2)16-11(12-8)6-13(3)10-4-5-17(14,15)7-10/h10H,4-7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 258.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 47394951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).