1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol

C9H15NO2 — CID 19976894

IUPAC1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol
SMILESCCCc1cc(C(O)CC)on1
InChIInChI=1S/C9H15NO2/c1-3-5-7-6-9(12-10-7)8(11)4-2/h6,8,11H,3-5H2,1-2H3
InChIKeyYXCMJUWCTYNNEK-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol

1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol (PubChem CID 19976894) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol
PubChem CID19976894
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol
SMILESCCCc1cc(C(O)CC)on1
InChIInChI=1S/C9H15NO2/c1-3-5-7-6-9(12-10-7)8(11)4-2/h6,8,11H,3-5H2,1-2H3
InChIKeyYXCMJUWCTYNNEK-UHFFFAOYSA-N
XLogP2.07
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol?
The IUPAC name of 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol (CID 19976894) is 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol?
The canonical SMILES for 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol is CCCc1cc(C(O)CC)on1.
What is the InChIKey of 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol?
The InChIKey is YXCMJUWCTYNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-7-6-9(12-10-7)8(11)4-2/h6,8,11H,3-5H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol?
1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 19976894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).