3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole

C8H15NO2 — CID 58965110

IUPAC3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESCCCOCC1CC(C)=NO1
InChIInChI=1S/C8H15NO2/c1-3-4-10-6-8-5-7(2)9-11-8/h8H,3-6H2,1-2H3
InChIKeyNOGRCNBSPUNAAX-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds4

About 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole

3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58965110) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole
PubChem CID58965110
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole
SMILESCCCOCC1CC(C)=NO1
InChIInChI=1S/C8H15NO2/c1-3-4-10-6-8-5-7(2)9-11-8/h8H,3-6H2,1-2H3
InChIKeyNOGRCNBSPUNAAX-UHFFFAOYSA-N
XLogP1.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
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

N-(2-methyloxolan-3-ylidene)hydroxylamine
CID 2777229
(NE)-N-(2-methyloxolan-3-ylidene)hydroxylamine
CID 5708806
(NZ)-N-(2-methyloxolan-3-ylidene)hydroxylamine
CID 5935848
(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl acetate
CID 12255531
2-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]ethanol
CID 58965088
3-Methyl-5-(oxiran-2-ylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 58965089
(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate
CID 58965109
1-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]propan-2-one
CID 58965113
1-[(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]butan-2-ol
CID 58965115
N-propan-2-yloxyoxan-4-imine
CID 59380355
6-(methoxymethyl)-3-methyl-5,6-dihydro-4H-oxazine
CID 67950929
(E)-1-[(2R)-1-butoxybutan-2-yl]oxy-N-methoxybutan-2-imine
CID 88934212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole (CID 58965110) is 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole is CCCOCC1CC(C)=NO1.
What is the InChIKey of 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is NOGRCNBSPUNAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-10-6-8-5-7(2)9-11-8/h8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole?
3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(propoxymethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58965110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).