N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine

C10H12N2OS — CID 103605426

IUPACN-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccno1)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-8(10-3-2-6-14-10)11-7-9-4-5-12-13-9/h2-6,8,11H,7H2,1H3
InChIKeyQKWSDRDSRMSQMQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.59
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine

N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 103605426) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID103605426
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccno1)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-8(10-3-2-6-14-10)11-7-9-4-5-12-13-9/h2-6,8,11H,7H2,1H3
InChIKeyQKWSDRDSRMSQMQ-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]benzene-1,3-diol
CID 106415565
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
N-(1,2-oxazol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 103605434
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 62084292
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine (CID 103605426) is N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine is CC(NCc1ccno1)c1cccs1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is QKWSDRDSRMSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8(10-3-2-6-14-10)11-7-9-4-5-12-13-9/h2-6,8,11H,7H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine?
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 208.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 103605426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).