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

C11H18N2O3S — CID 93420640

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
SMILESCc1noc(C)c1CNC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-8-11(9(2)16-13-8)6-12-5-10-3-4-17(14,15)7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyBFFJDCDMKQCOMQ-SNVBAGLBSA-N
MW258.34 g/mol
LogP0.82
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 93420640) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID93420640
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
SMILESCc1noc(C)c1CNC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-8-11(9(2)16-13-8)6-12-5-10-3-4-17(14,15)7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyBFFJDCDMKQCOMQ-SNVBAGLBSA-N
XLogP0.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125172
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95144868
N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 94193639
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 94991534
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417485
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103255665
1-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62741194
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94199776
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 47271761
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424917
1-(1,1-dioxothiolan-3-yl)-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 61058021

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine (CID 93420640) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine is Cc1noc(C)c1CNC[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is BFFJDCDMKQCOMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-11(9(2)16-13-8)6-12-5-10-3-4-17(14,15)7-10/h10,12H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 258.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 93420640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).