[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine

C9H10N2OS — CID 115087573

IUPAC[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccs2)o1
InChIInChI=1S/C9H10N2OS/c10-5-7-6-11-9(12-7)4-8-2-1-3-13-8/h1-3,6H,4-5,10H2
InChIKeyNRFWIOPLUZYNQQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.79
Rot. Bonds3

About [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine

[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 115087573) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
PubChem CID115087573
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccs2)o1
InChIInChI=1S/C9H10N2OS/c10-5-7-6-11-9(12-7)4-8-2-1-3-13-8/h1-3,6H,4-5,10H2
InChIKeyNRFWIOPLUZYNQQ-UHFFFAOYSA-N
XLogP1.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115087589
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
[6-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 121206379
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115084839
5-bromo-2-(thiophen-2-ylmethyl)-1,3-benzoxazol-7-amine
CID 104728815
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
5-(thiophen-2-ylmethyl)pyrimidine
CID 166530274
2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337921

Frequently Asked Questions

What is the IUPAC name of [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine (CID 115087573) is [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine is NCc1cnc(Cc2cccs2)o1.
What is the InChIKey of [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is NRFWIOPLUZYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-5-7-6-11-9(12-7)4-8-2-1-3-13-8/h1-3,6H,4-5,10H2.
What are the key properties of [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine?
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 115087573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).