N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C12H16N2OS — CID 43183580

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1noc(C)c1CNC(C)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-8-11(10(3)15-14-8)7-13-9(2)12-5-4-6-16-12/h4-6,9,13H,7H2,1-3H3
InChIKeyIBJJDFDJJJDWAQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.20
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43183580) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43183580
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1noc(C)c1CNC(C)c1cccs1
InChIInChI=1S/C12H16N2OS/c1-8-11(10(3)15-14-8)7-13-9(2)12-5-4-6-16-12/h4-6,9,13H,7H2,1-3H3
InChIKeyIBJJDFDJJJDWAQ-UHFFFAOYSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 43183580) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine is Cc1noc(C)c1CNC(C)c1cccs1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is IBJJDFDJJJDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-11(10(3)15-14-8)7-13-9(2)12-5-4-6-16-12/h4-6,9,13H,7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43183580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).