5-butyl-3-methyl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 13358884

IUPAC5-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(C)=NO1
InChIInChI=1S/C8H15NO/c1-3-4-5-8-6-7(2)9-10-8/h8H,3-6H2,1-2H3
InChIKeyLARUTSRFMWZGHW-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.34
Rot. Bonds3

About 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole

5-butyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 13358884) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID13358884
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CC(C)=NO1
InChIInChI=1S/C8H15NO/c1-3-4-5-8-6-7(2)9-10-8/h8H,3-6H2,1-2H3
InChIKeyLARUTSRFMWZGHW-UHFFFAOYSA-N
XLogP2.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
5-Hexyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12794211
3,5-Dibutyl-4,5-dihydro-1,2-oxazole
CID 121216456
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-Methyl-5-pentyl-4,5-dihydro-1,2-oxazole
CID 13165515
3-Ethyl-5-octyl-4,5-dihydro-1,2-oxazole
CID 13781460
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180
5-Ethyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 14746748
N-propan-2-yloxycyclododecanimine
CID 17887260

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 13358884) is 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole is CCCCC1CC(C)=NO1.
What is the InChIKey of 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is LARUTSRFMWZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8-6-7(2)9-10-8/h8H,3-6H2,1-2H3.
What are the key properties of 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
5-butyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13358884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).