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

C10H16N2OS — CID 115082088

IUPACN-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-11-4-2-9-6-13-10(12-9)8-3-5-14-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyPTRKSRPWFRSZGO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.66
Rot. Bonds4

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

N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115082088) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115082088
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-11-4-2-9-6-13-10(12-9)8-3-5-14-7-8/h6,8,11H,2-5,7H2,1H3
InChIKeyPTRKSRPWFRSZGO-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082089
2-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082683
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine (CID 115082088) is N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine is CNCCc1coc(C2CCSC2)n1.
What is the InChIKey of N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is PTRKSRPWFRSZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-4-2-9-6-13-10(12-9)8-3-5-14-7-8/h6,8,11H,2-5,7H2,1H3.
What are the key properties of N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115082088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).