3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole

C14H23NO3 — CID 66952939

IUPAC3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
SMILESCCCCCc1cc(COC2CCCCO2)no1
InChIInChI=1S/C14H23NO3/c1-2-3-4-7-13-10-12(15-18-13)11-17-14-8-5-6-9-16-14/h10,14H,2-9,11H2,1H3
InChIKeyBHBZXHPDSIXERZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.45
Rot. Bonds7

About 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole

3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole (PubChem CID 66952939) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
PubChem CID66952939
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole
SMILESCCCCCc1cc(COC2CCCCO2)no1
InChIInChI=1S/C14H23NO3/c1-2-3-4-7-13-10-12(15-18-13)11-17-14-8-5-6-9-16-14/h10,14H,2-9,11H2,1H3
InChIKeyBHBZXHPDSIXERZ-UHFFFAOYSA-N
XLogP3.45
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethyl)-5-(oxan-2-yloxymethyl)-1,2-oxazole
CID 164718904
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-octacosoxyoxane
CID 11214102
2-[(2-methyl-5-pentylcyclopenta-2,4-dien-1-yl)methoxy]oxane
CID 102158678
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
CID 10688292
3-[3-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]benzoic acid
CID 18548803
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
2-(3-heptyl-1,2-oxazol-5-yl)ethanol
CID 65017895
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
3-[3-ethyl-4-(oxan-2-yloxymethyl)phenyl]-5-(4-phenylbutyl)-1,2,4-oxadiazole
CID 90091949
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole?
The IUPAC name of 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole (CID 66952939) is 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole?
The canonical SMILES for 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole is CCCCCc1cc(COC2CCCCO2)no1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole?
The InChIKey is BHBZXHPDSIXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-7-13-10-12(15-18-13)11-17-14-8-5-6-9-16-14/h10,14H,2-9,11H2,1H3.
What are the key properties of 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole?
3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole has a molecular weight of 253.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)-5-pentyl-1,2-oxazole is sourced from PubChem (CID 66952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).