2-cyclopropyl-4-propyl-1,3-oxazole

C9H13NO — CID 89181319

IUPAC2-cyclopropyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(C2CC2)n1
InChIInChI=1S/C9H13NO/c1-2-3-8-6-11-9(10-8)7-4-5-7/h6-7H,2-5H2,1H3
InChIKeyIWKKCLAFBNNAIO-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.50
Rot. Bonds3

About 2-cyclopropyl-4-propyl-1,3-oxazole

2-cyclopropyl-4-propyl-1,3-oxazole (PubChem CID 89181319) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-4-propyl-1,3-oxazole
PubChem CID89181319
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-cyclopropyl-4-propyl-1,3-oxazole
SMILESCCCc1coc(C2CC2)n1
InChIInChI=1S/C9H13NO/c1-2-3-8-6-11-9(10-8)7-4-5-7/h6-7H,2-5H2,1H3
InChIKeyIWKKCLAFBNNAIO-UHFFFAOYSA-N
XLogP2.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-4-propyl-1,3-oxazole (CID 89181319) is 2-cyclopropyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-4-propyl-1,3-oxazole is CCCc1coc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-propyl-1,3-oxazole?
The InChIKey is IWKKCLAFBNNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-8-6-11-9(10-8)7-4-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-4-propyl-1,3-oxazole?
2-cyclopropyl-4-propyl-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 89181319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).