5-(2-methylpropyl)-4-propyl-1,3-oxazole

C10H17NO — CID 88974463

IUPAC5-(2-methylpropyl)-4-propyl-1,3-oxazole
SMILESCCCc1ncoc1CC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-9-10(6-8(2)3)12-7-11-9/h7-8H,4-6H2,1-3H3
InChIKeyYQSLYUMFIIDGLZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.83
Rot. Bonds4

About 5-(2-methylpropyl)-4-propyl-1,3-oxazole

5-(2-methylpropyl)-4-propyl-1,3-oxazole (PubChem CID 88974463) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-propyl-1,3-oxazole
PubChem CID88974463
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-(2-methylpropyl)-4-propyl-1,3-oxazole
SMILESCCCc1ncoc1CC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-9-10(6-8(2)3)12-7-11-9/h7-8H,4-6H2,1-3H3
InChIKeyYQSLYUMFIIDGLZ-UHFFFAOYSA-N
XLogP2.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-propyl-1,3-oxazole?
The IUPAC name of 5-(2-methylpropyl)-4-propyl-1,3-oxazole (CID 88974463) is 5-(2-methylpropyl)-4-propyl-1,3-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-4-propyl-1,3-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-4-propyl-1,3-oxazole is CCCc1ncoc1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-4-propyl-1,3-oxazole?
The InChIKey is YQSLYUMFIIDGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-9-10(6-8(2)3)12-7-11-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-4-propyl-1,3-oxazole?
5-(2-methylpropyl)-4-propyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-propyl-1,3-oxazole is sourced from PubChem (CID 88974463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).