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

C11H21NO — CID 135039737

IUPAC3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCCCCC1=NOC(CC(C)C)C1
InChIInChI=1S/C11H21NO/c1-4-5-6-10-8-11(13-12-10)7-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMZHXOBMKZLFKSZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.37
Rot. Bonds5

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

3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 135039737) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID135039737
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCCCCC1=NOC(CC(C)C)C1
InChIInChI=1S/C11H21NO/c1-4-5-6-10-8-11(13-12-10)7-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMZHXOBMKZLFKSZ-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (CID 135039737) is 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is CCCCC1=NOC(CC(C)C)C1.
What is the InChIKey of 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is MZHXOBMKZLFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-10-8-11(13-12-10)7-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135039737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).