3-(methoxymethyl)-4-pentyl-1,2-oxazole

C10H17NO2 — CID 67274471

IUPAC3-(methoxymethyl)-4-pentyl-1,2-oxazole
SMILESCCCCCc1conc1COC
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-9-7-13-11-10(9)8-12-2/h7H,3-6,8H2,1-2H3
InChIKeyOXPXJHZBVATDQA-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.55
Rot. Bonds6

About 3-(methoxymethyl)-4-pentyl-1,2-oxazole

3-(methoxymethyl)-4-pentyl-1,2-oxazole (PubChem CID 67274471) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-pentyl-1,2-oxazole.

Molecular Properties

Compound Name3-(methoxymethyl)-4-pentyl-1,2-oxazole
PubChem CID67274471
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(methoxymethyl)-4-pentyl-1,2-oxazole
SMILESCCCCCc1conc1COC
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-9-7-13-11-10(9)8-12-2/h7H,3-6,8H2,1-2H3
InChIKeyOXPXJHZBVATDQA-UHFFFAOYSA-N
XLogP2.55
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-3-methyl-1,2-oxazole
CID 11819147
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
CID 105422700
4-butyl-3-phenyl-1,2-oxazole
CID 20616768
ethane;3-methyl-4-pentylfuran
CID 143814936
3-pentyl-2,5-dipropylpyridine
CID 174744841
3,4-dipentyl-1,2,5-oxadiazole
CID 70008061
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 167857970
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
CID 168852129
3,4-didecylthiophene
CID 21200004

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-pentyl-1,2-oxazole?
The IUPAC name of 3-(methoxymethyl)-4-pentyl-1,2-oxazole (CID 67274471) is 3-(methoxymethyl)-4-pentyl-1,2-oxazole.
What is the SMILES notation for 3-(methoxymethyl)-4-pentyl-1,2-oxazole?
The canonical SMILES for 3-(methoxymethyl)-4-pentyl-1,2-oxazole is CCCCCc1conc1COC.
What is the InChIKey of 3-(methoxymethyl)-4-pentyl-1,2-oxazole?
The InChIKey is OXPXJHZBVATDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-6-9-7-13-11-10(9)8-12-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-4-pentyl-1,2-oxazole?
3-(methoxymethyl)-4-pentyl-1,2-oxazole has a molecular weight of 183.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-pentyl-1,2-oxazole is sourced from PubChem (CID 67274471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).