4-methyl-2-pentyl-5-propyl-1,3-oxazole

C12H21NO — CID 86025815

IUPAC4-methyl-2-pentyl-5-propyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(CCC)o1
InChIInChI=1S/C12H21NO/c1-4-6-7-9-12-13-10(3)11(14-12)8-5-2/h4-9H2,1-3H3
InChIKeyWRHMTMNWZFCCEM-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.67
Rot. Bonds6

About 4-methyl-2-pentyl-5-propyl-1,3-oxazole

4-methyl-2-pentyl-5-propyl-1,3-oxazole (PubChem CID 86025815) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-2-pentyl-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-pentyl-5-propyl-1,3-oxazole
PubChem CID86025815
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methyl-2-pentyl-5-propyl-1,3-oxazole
SMILESCCCCCc1nc(C)c(CCC)o1
InChIInChI=1S/C12H21NO/c1-4-6-7-9-12-13-10(3)11(14-12)8-5-2/h4-9H2,1-3H3
InChIKeyWRHMTMNWZFCCEM-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.67
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-methyl-2-pentyl-5-propyl-1,3-oxazole?
The IUPAC name of 4-methyl-2-pentyl-5-propyl-1,3-oxazole (CID 86025815) is 4-methyl-2-pentyl-5-propyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-pentyl-5-propyl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-pentyl-5-propyl-1,3-oxazole is CCCCCc1nc(C)c(CCC)o1.
What is the InChIKey of 4-methyl-2-pentyl-5-propyl-1,3-oxazole?
The InChIKey is WRHMTMNWZFCCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-7-9-12-13-10(3)11(14-12)8-5-2/h4-9H2,1-3H3.
What are the key properties of 4-methyl-2-pentyl-5-propyl-1,3-oxazole?
4-methyl-2-pentyl-5-propyl-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-5-propyl-1,3-oxazole is sourced from PubChem (CID 86025815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).