4,5-dipropyl-1,3-oxazole

C9H15NO — CID 19964978

IUPAC4,5-dipropyl-1,3-oxazole
SMILESCCCc1ncoc1CCC
InChIInChI=1S/C9H15NO/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3
InChIKeyFVHAFCLGJIPKSU-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.58
Rot. Bonds4

About 4,5-dipropyl-1,3-oxazole

4,5-dipropyl-1,3-oxazole (PubChem CID 19964978) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,5-dipropyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dipropyl-1,3-oxazole
PubChem CID19964978
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,5-dipropyl-1,3-oxazole
SMILESCCCc1ncoc1CCC
InChIInChI=1S/C9H15NO/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3
InChIKeyFVHAFCLGJIPKSU-UHFFFAOYSA-N
XLogP2.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyl-1,3-oxazole?
The IUPAC name of 4,5-dipropyl-1,3-oxazole (CID 19964978) is 4,5-dipropyl-1,3-oxazole.
What is the SMILES notation for 4,5-dipropyl-1,3-oxazole?
The canonical SMILES for 4,5-dipropyl-1,3-oxazole is CCCc1ncoc1CCC.
What is the InChIKey of 4,5-dipropyl-1,3-oxazole?
The InChIKey is FVHAFCLGJIPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8-9(6-4-2)11-7-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 4,5-dipropyl-1,3-oxazole?
4,5-dipropyl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-1,3-oxazole is sourced from PubChem (CID 19964978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).