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

C10H19NO — CID 23467383

IUPAC5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1OC(CC(C)C)=NC1C
InChIInChI=1S/C10H19NO/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyYGMLUNNPDDXTNB-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.63
Rot. Bonds3

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

5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 23467383) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID23467383
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1OC(CC(C)C)=NC1C
InChIInChI=1S/C10H19NO/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyYGMLUNNPDDXTNB-UHFFFAOYSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11228922
2-Isopropyl-4,5-diethyloxazolin
CID 129627721
(4R,5R)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 10844474
(4R,5S)-4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 101636252
4-Ethyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11446387
4,5-Diethyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 12663176
2-Ethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 13173449
(4S)-2-Ethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 13173450
2,4-Di(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 13435867
2-Methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 14040042
(4S)-2-methyl-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 14040043
4(S,S)-sec.-butyl-2-methyloxazoline
CID 18634274

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (CID 23467383) is 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is CCC1OC(CC(C)C)=NC1C.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YGMLUNNPDDXTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23467383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).