2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol

C9H14N2O3 — CID 155932319

IUPAC2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
SMILESCC(CO)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C9H14N2O3/c1-9(6-12,7-10-2-4-13-7)8-11-3-5-14-8/h12H,2-6H2,1H3
InChIKeyXPIFTAOCVAXPSL-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.16
Rot. Bonds3

About 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol

2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol (PubChem CID 155932319) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
PubChem CID155932319
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
SMILESCC(CO)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C9H14N2O3/c1-9(6-12,7-10-2-4-13-7)8-11-3-5-14-8/h12H,2-6H2,1H3
InChIKeyXPIFTAOCVAXPSL-UHFFFAOYSA-N
XLogP-0.16
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol?
The IUPAC name of 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol (CID 155932319) is 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol?
The canonical SMILES for 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol is CC(CO)(C1=NCCO1)C1=NCCO1.
What is the InChIKey of 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol?
The InChIKey is XPIFTAOCVAXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(6-12,7-10-2-4-13-7)8-11-3-5-14-8/h12H,2-6H2,1H3.
What are the key properties of 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol?
2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol has a molecular weight of 198.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol is sourced from PubChem (CID 155932319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).