4,5-dimethyl-2-pentyl-1,3-oxazole

C10H17NO — CID 525787

IUPAC4,5-dimethyl-2-pentyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(C)o1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
InChIKeyHLNGYNXFRKTMHQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.02
Rot. Bonds4

About 4,5-dimethyl-2-pentyl-1,3-oxazole

4,5-dimethyl-2-pentyl-1,3-oxazole (PubChem CID 525787) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pentyl-1,3-oxazole
PubChem CID525787
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,5-dimethyl-2-pentyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(C)o1
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3
InChIKeyHLNGYNXFRKTMHQ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pentyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-pentyl-1,3-oxazole (CID 525787) is 4,5-dimethyl-2-pentyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-pentyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-pentyl-1,3-oxazole is CCCCCc1nc(C)c(C)o1.
What is the InChIKey of 4,5-dimethyl-2-pentyl-1,3-oxazole?
The InChIKey is HLNGYNXFRKTMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10-11-8(2)9(3)12-10/h4-7H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-pentyl-1,3-oxazole?
4,5-dimethyl-2-pentyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentyl-1,3-oxazole is sourced from PubChem (CID 525787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).