1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol

C9H17NO3 — CID 58965115

IUPAC1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol
SMILESCCC(O)COCC1CC(C)=NO1
InChIInChI=1S/C9H17NO3/c1-3-8(11)5-12-6-9-4-7(2)10-13-9/h8-9,11H,3-6H2,1-2H3
InChIKeyAIWIHLPJAVMGQD-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.94
Rot. Bonds5

About 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol

1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol (PubChem CID 58965115) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol
PubChem CID58965115
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol
SMILESCCC(O)COCC1CC(C)=NO1
InChIInChI=1S/C9H17NO3/c1-3-8(11)5-12-6-9-4-7(2)10-13-9/h8-9,11H,3-6H2,1-2H3
InChIKeyAIWIHLPJAVMGQD-UHFFFAOYSA-N
XLogP0.94
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol?
The IUPAC name of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol (CID 58965115) is 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol.
What is the SMILES notation for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol?
The canonical SMILES for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol is CCC(O)COCC1CC(C)=NO1.
What is the InChIKey of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol?
The InChIKey is AIWIHLPJAVMGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-8(11)5-12-6-9-4-7(2)10-13-9/h8-9,11H,3-6H2,1-2H3.
What are the key properties of 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol?
1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol has a molecular weight of 187.24 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol is sourced from PubChem (CID 58965115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).