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

C11H17NO2S — CID 115036295

IUPAC3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1nc(C2CCCCS2)co1
InChIInChI=1S/C11H17NO2S/c13-6-3-5-11-12-9(8-14-11)10-4-1-2-7-15-10/h8,10,13H,1-7H2
InChIKeyDLIJIKXZLSAPTP-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.56
Rot. Bonds4

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

3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115036295) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115036295
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCc1nc(C2CCCCS2)co1
InChIInChI=1S/C11H17NO2S/c13-6-3-5-11-12-9(8-14-11)10-4-1-2-7-15-10/h8,10,13H,1-7H2
InChIKeyDLIJIKXZLSAPTP-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol (CID 115036295) is 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol is OCCCc1nc(C2CCCCS2)co1.
What is the InChIKey of 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is DLIJIKXZLSAPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-6-3-5-11-12-9(8-14-11)10-4-1-2-7-15-10/h8,10,13H,1-7H2.
What are the key properties of 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol?
3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thian-2-yl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115036295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).