1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol

C10H17NO2 — CID 115084190

IUPAC1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)Cc1nc(CC(C)O)co1
InChIInChI=1S/C10H17NO2/c1-7(2)4-10-11-9(6-13-10)5-8(3)12/h6-8,12H,4-5H2,1-3H3
InChIKeyUEPJYDSHJVPWTC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol

1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 115084190) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
PubChem CID115084190
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)Cc1nc(CC(C)O)co1
InChIInChI=1S/C10H17NO2/c1-7(2)4-10-11-9(6-13-10)5-8(3)12/h6-8,12H,4-5H2,1-3H3
InChIKeyUEPJYDSHJVPWTC-UHFFFAOYSA-N
XLogP1.80
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol (CID 115084190) is 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol is CC(C)Cc1nc(CC(C)O)co1.
What is the InChIKey of 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is UEPJYDSHJVPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)4-10-11-9(6-13-10)5-8(3)12/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol?
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 115084190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).