1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol

C13H18N2O4 — CID 62015350

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H18N2O4/c1-15(8-11(16)9-17-2)7-10-6-13(19-14-10)12-4-3-5-18-12/h3-6,11,16H,7-9H2,1-2H3
InChIKeyDPYIPBAFNGZHOS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.37
Rot. Bonds7

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62015350) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62015350
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cc(-c2ccco2)on1
InChIInChI=1S/C13H18N2O4/c1-15(8-11(16)9-17-2)7-10-6-13(19-14-10)12-4-3-5-18-12/h3-6,11,16H,7-9H2,1-2H3
InChIKeyDPYIPBAFNGZHOS-UHFFFAOYSA-N
XLogP1.37
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol (CID 62015350) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1cc(-c2ccco2)on1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is DPYIPBAFNGZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(8-11(16)9-17-2)7-10-6-13(19-14-10)12-4-3-5-18-12/h3-6,11,16H,7-9H2,1-2H3.
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 266.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62015350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).