2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol

C12H16N2O2S — CID 113429120

IUPAC2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESCc1cnc(C(C)NCC(O)c2cccs2)o1
InChIInChI=1S/C12H16N2O2S/c1-8-6-14-12(16-8)9(2)13-7-10(15)11-4-3-5-17-11/h3-6,9-10,13,15H,7H2,1-2H3
InChIKeyVXGMNVJGIXGKRR-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol

2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 113429120) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol
PubChem CID113429120
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol
SMILESCc1cnc(C(C)NCC(O)c2cccs2)o1
InChIInChI=1S/C12H16N2O2S/c1-8-6-14-12(16-8)9(2)13-7-10(15)11-4-3-5-17-11/h3-6,9-10,13,15H,7H2,1-2H3
InChIKeyVXGMNVJGIXGKRR-UHFFFAOYSA-N
XLogP2.43
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
1-(5-methyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 104579884
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 113463232
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106388030
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 62118090
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol (CID 113429120) is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol is Cc1cnc(C(C)NCC(O)c2cccs2)o1.
What is the InChIKey of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is VXGMNVJGIXGKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-6-14-12(16-8)9(2)13-7-10(15)11-4-3-5-17-11/h3-6,9-10,13,15H,7H2,1-2H3.
What are the key properties of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol?
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 252.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 113429120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).