4-pentyl-1,3-oxazole

C8H13NO — CID 19420718

IUPAC4-pentyl-1,3-oxazole
SMILESCCCCCc1cocn1
InChIInChI=1S/C8H13NO/c1-2-3-4-5-8-6-10-7-9-8/h6-7H,2-5H2,1H3
InChIKeyWWQKQCWXIOUCNL-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.41
Rot. Bonds4

About 4-pentyl-1,3-oxazole

4-pentyl-1,3-oxazole (PubChem CID 19420718) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-pentyl-1,3-oxazole.

Molecular Properties

Compound Name4-pentyl-1,3-oxazole
PubChem CID19420718
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-pentyl-1,3-oxazole
SMILESCCCCCc1cocn1
InChIInChI=1S/C8H13NO/c1-2-3-4-5-8-6-10-7-9-8/h6-7H,2-5H2,1H3
InChIKeyWWQKQCWXIOUCNL-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.41
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

3-(1,3-oxazol-4-yl)-N-pentylpropanamide
CID 110679032
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
4-(3-ethylheptadecan-3-yl)-1,3-oxazole
CID 170549623
2-(1,3-oxazol-4-yl)ethyl acetate
CID 154014083
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
4,6-dihexadecylpyrimidine
CID 91309058
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2,6-diheptyl-4-propylpyridine
CID 91426264
2,6-dipentylpyridine
CID 58097448
hexoxy(1,3-oxazol-4-yl)tin
CID 174400449
4-nonadecylpyrimidin-2-amine
CID 141119145

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1,3-oxazole?
The IUPAC name of 4-pentyl-1,3-oxazole (CID 19420718) is 4-pentyl-1,3-oxazole.
What is the SMILES notation for 4-pentyl-1,3-oxazole?
The canonical SMILES for 4-pentyl-1,3-oxazole is CCCCCc1cocn1.
What is the InChIKey of 4-pentyl-1,3-oxazole?
The InChIKey is WWQKQCWXIOUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-8-6-10-7-9-8/h6-7H,2-5H2,1H3.
What are the key properties of 4-pentyl-1,3-oxazole?
4-pentyl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1,3-oxazole is sourced from PubChem (CID 19420718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).