1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol

C10H20N2O3 — CID 18988731

IUPAC1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)C1=NCC(C)O1
InChIInChI=1S/C10H20N2O3/c1-7(13)5-12(6-8(2)14)10-11-4-9(3)15-10/h7-9,13-14H,4-6H2,1-3H3
InChIKeyKLEKDSUDWNKKNA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.18
Rot. Bonds4

About 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol

1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol (PubChem CID 18988731) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol
PubChem CID18988731
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)C1=NCC(C)O1
InChIInChI=1S/C10H20N2O3/c1-7(13)5-12(6-8(2)14)10-11-4-9(3)15-10/h7-9,13-14H,4-6H2,1-3H3
InChIKeyKLEKDSUDWNKKNA-UHFFFAOYSA-N
XLogP-0.18
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol (CID 18988731) is 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol is CC(O)CN(CC(C)O)C1=NCC(C)O1.
What is the InChIKey of 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol?
The InChIKey is KLEKDSUDWNKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(13)5-12(6-8(2)14)10-11-4-9(3)15-10/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol?
1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 18988731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).