2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol

C14H20N2O2S — CID 42396310

IUPAC2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN(CCO)C(C)C
InChIInChI=1S/C14H20N2O2S/c1-10(2)16(5-6-17)8-13-11(3)18-14(15-13)12-4-7-19-9-12/h4,7,9-10,17H,5-6,8H2,1-3H3
InChIKeyIQMZPXJSQTUWSV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol

2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 42396310) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol
PubChem CID42396310
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol
SMILESCc1oc(-c2ccsc2)nc1CN(CCO)C(C)C
InChIInChI=1S/C14H20N2O2S/c1-10(2)16(5-6-17)8-13-11(3)18-14(15-13)12-4-7-19-9-12/h4,7,9-10,17H,5-6,8H2,1-3H3
InChIKeyIQMZPXJSQTUWSV-UHFFFAOYSA-N
XLogP2.91
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol (CID 42396310) is 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol is Cc1oc(-c2ccsc2)nc1CN(CCO)C(C)C.
What is the InChIKey of 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is IQMZPXJSQTUWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)16(5-6-17)8-13-11(3)18-14(15-13)12-4-7-19-9-12/h4,7,9-10,17H,5-6,8H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol?
2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 42396310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).