N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine

C11H14N2OS — CID 115726363

IUPACN-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccon1
InChIInChI=1S/C11H14N2OS/c1-9(6-10-3-5-15-8-10)12-7-11-2-4-14-13-11/h2-5,8-9,12H,6-7H2,1H3
InChIKeyRDGATJWMOSDVTA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.46
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine

N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 115726363) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID115726363
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccon1
InChIInChI=1S/C11H14N2OS/c1-9(6-10-3-5-15-8-10)12-7-11-2-4-14-13-11/h2-5,8-9,12H,6-7H2,1H3
InChIKeyRDGATJWMOSDVTA-UHFFFAOYSA-N
XLogP2.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
N-(1,3-benzodioxol-5-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61473215
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]propan-2-amine
CID 78943901
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine (CID 115726363) is N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is RDGATJWMOSDVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9(6-10-3-5-15-8-10)12-7-11-2-4-14-13-11/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine?
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 115726363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).