4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole

C10H17NO — CID 134224934

IUPAC4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)c(C(C)C)o1
InChIInChI=1S/C10H17NO/c1-5-6-9-11-8(4)10(12-9)7(2)3/h7H,5-6H2,1-4H3
InChIKeyYEDBEWLOSJHZIE-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole

4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole (PubChem CID 134224934) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole
PubChem CID134224934
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)c(C(C)C)o1
InChIInChI=1S/C10H17NO/c1-5-6-9-11-8(4)10(12-9)7(2)3/h7H,5-6H2,1-4H3
InChIKeyYEDBEWLOSJHZIE-UHFFFAOYSA-N
XLogP3.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole?
The IUPAC name of 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole (CID 134224934) is 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole is CCCc1nc(C)c(C(C)C)o1.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole?
The InChIKey is YEDBEWLOSJHZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-9-11-8(4)10(12-9)7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole?
4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-propyl-1,3-oxazole is sourced from PubChem (CID 134224934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).