4-propyl-1,3-oxazole

C6H9NO — CID 54122457

IUPAC4-propyl-1,3-oxazole
SMILESCCCc1cocn1
InChIInChI=1S/C6H9NO/c1-2-3-6-4-8-5-7-6/h4-5H,2-3H2,1H3
InChIKeyKXNBJIMFMYZHQS-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.63
Rot. Bonds2

About 4-propyl-1,3-oxazole

4-propyl-1,3-oxazole (PubChem CID 54122457) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-propyl-1,3-oxazole
PubChem CID54122457
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-propyl-1,3-oxazole
SMILESCCCc1cocn1
InChIInChI=1S/C6H9NO/c1-2-3-6-4-8-5-7-6/h4-5H,2-3H2,1H3
InChIKeyKXNBJIMFMYZHQS-UHFFFAOYSA-N
XLogP1.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3-oxazole?
The IUPAC name of 4-propyl-1,3-oxazole (CID 54122457) is 4-propyl-1,3-oxazole.
What is the SMILES notation for 4-propyl-1,3-oxazole?
The canonical SMILES for 4-propyl-1,3-oxazole is CCCc1cocn1.
What is the InChIKey of 4-propyl-1,3-oxazole?
The InChIKey is KXNBJIMFMYZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-6-4-8-5-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyl-1,3-oxazole?
4-propyl-1,3-oxazole has a molecular weight of 111.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3-oxazole is sourced from PubChem (CID 54122457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).