N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine

C10H16N2OS — CID 115083120

IUPACN-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)5-9-3-2-4-14-9/h7,9,11H,2-6H2,1H3
InChIKeyHANVLJBUPMNDSN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.83
Rot. Bonds4

About N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine

N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115083120) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID115083120
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1coc(CC2CCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)5-9-3-2-4-14-9/h7,9,11H,2-6H2,1H3
InChIKeyHANVLJBUPMNDSN-UHFFFAOYSA-N
XLogP1.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083265
N-methyl-1-[2-(thian-4-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115082516
1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083037
N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
CID 115082966
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083440
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
N-methyl-3-[5-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078245
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115083290
1-(2-bromo-1,3-oxazol-4-yl)-N-methylmethanamine
CID 84662978
5-(methylaminomethyl)-N-(thian-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963272
N-methyl-1-[2-(4-methylsulfanylazepan-1-yl)-1,3-oxazol-4-yl]methanamine
CID 114238222
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine (CID 115083120) is N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine is CNCc1coc(CC2CCCS2)n1.
What is the InChIKey of N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is HANVLJBUPMNDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-6-8-7-13-10(12-8)5-9-3-2-4-14-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thiolan-2-ylmethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115083120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).