3,5-dibutyl-4,5-dihydro-1,2-oxazole

C11H21NO — CID 121216456

IUPAC3,5-dibutyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1=NOC(CCCC)C1
InChIInChI=1S/C11H21NO/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h11H,3-9H2,1-2H3
InChIKeyHIVPJCCESCAAJQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.51
Rot. Bonds6

About 3,5-dibutyl-4,5-dihydro-1,2-oxazole

3,5-dibutyl-4,5-dihydro-1,2-oxazole (PubChem CID 121216456) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,5-dibutyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-dibutyl-4,5-dihydro-1,2-oxazole
PubChem CID121216456
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,5-dibutyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1=NOC(CCCC)C1
InChIInChI=1S/C11H21NO/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h11H,3-9H2,1-2H3
InChIKeyHIVPJCCESCAAJQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-pentyl-5,6-dihydro-4H-oxazine
CID 13789900
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
5-Hexyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12794211
3-Butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 135039737
5-Methyl-3-octyl-4,5-dihydro-1,2-oxazole
CID 164671064
(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334638
(5R)-3-ethyl-5-[(1S)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334639
3-pentyl-5,6-dihydro-4H-oxazine
CID 13789891
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-Methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13165515
3-Methyl-5-butylisoxazoline
CID 13358884
N-dodecoxypropan-2-imine
CID 13454287

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-dibutyl-4,5-dihydro-1,2-oxazole (CID 121216456) is 3,5-dibutyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-dibutyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-dibutyl-4,5-dihydro-1,2-oxazole is CCCCC1=NOC(CCCC)C1.
What is the InChIKey of 3,5-dibutyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HIVPJCCESCAAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-7-10-9-11(13-12-10)8-6-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 3,5-dibutyl-4,5-dihydro-1,2-oxazole?
3,5-dibutyl-4,5-dihydro-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 121216456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).