2,5-dipentyl-1,3-oxazole

C13H23NO — CID 67264472

IUPAC2,5-dipentyl-1,3-oxazole
SMILESCCCCCc1cnc(CCCCC)o1
InChIInChI=1S/C13H23NO/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyXUQCKGBLIUBMPS-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.14
Rot. Bonds8

About 2,5-dipentyl-1,3-oxazole

2,5-dipentyl-1,3-oxazole (PubChem CID 67264472) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,5-dipentyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dipentyl-1,3-oxazole
PubChem CID67264472
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,5-dipentyl-1,3-oxazole
SMILESCCCCCc1cnc(CCCCC)o1
InChIInChI=1S/C13H23NO/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyXUQCKGBLIUBMPS-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.14
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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Related Compounds

5-bromo-2-pentyl-1,3-oxazole
CID 67062833
2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
N-[(5-butyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 65184198
5-[[4-(chloromethyl)phenyl]sulfanylmethyl]-2-pentyl-1,3-oxazole
CID 174976672
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
5-(bromomethyl)-2-propyl-1,3-oxazole
CID 165441984
3-(5-propyl-1,3-oxazol-2-yl)propanoic acid
CID 115016405
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
2-(5-propyl-1,3-oxazol-2-yl)acetic acid
CID 115013535
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553

Frequently Asked Questions

What is the IUPAC name of 2,5-dipentyl-1,3-oxazole?
The IUPAC name of 2,5-dipentyl-1,3-oxazole (CID 67264472) is 2,5-dipentyl-1,3-oxazole.
What is the SMILES notation for 2,5-dipentyl-1,3-oxazole?
The canonical SMILES for 2,5-dipentyl-1,3-oxazole is CCCCCc1cnc(CCCCC)o1.
What is the InChIKey of 2,5-dipentyl-1,3-oxazole?
The InChIKey is XUQCKGBLIUBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-9-12-11-14-13(15-12)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 2,5-dipentyl-1,3-oxazole?
2,5-dipentyl-1,3-oxazole has a molecular weight of 209.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipentyl-1,3-oxazole is sourced from PubChem (CID 67264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).