2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol

C12H16N2O3 — CID 106372593

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
SMILESCc1nc(CNCC(O)c2ccco2)oc1C
InChIInChI=1S/C12H16N2O3/c1-8-9(2)17-12(14-8)7-13-6-10(15)11-4-3-5-16-11/h3-5,10,13,15H,6-7H2,1-2H3
InChIKeyVVNNQGXMWYRQHQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol (PubChem CID 106372593) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
PubChem CID106372593
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
SMILESCc1nc(CNCC(O)c2ccco2)oc1C
InChIInChI=1S/C12H16N2O3/c1-8-9(2)17-12(14-8)7-13-6-10(15)11-4-3-5-16-11/h3-5,10,13,15H,6-7H2,1-2H3
InChIKeyVVNNQGXMWYRQHQ-UHFFFAOYSA-N
XLogP1.71
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398102
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
CID 106372686
1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 111969344
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372776
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 111579089

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol (CID 106372593) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol is Cc1nc(CNCC(O)c2ccco2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol?
The InChIKey is VVNNQGXMWYRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-9(2)17-12(14-8)7-13-6-10(15)11-4-3-5-16-11/h3-5,10,13,15H,6-7H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol has a molecular weight of 236.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 106372593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).