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

C9H17NO — CID 13165515

IUPAC3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCC1CC(C)=NO1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-9-7-8(2)10-11-9/h9H,3-7H2,1-2H3
InChIKeyTZJCMMYFCAXVRY-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.73
Rot. Bonds4

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

3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole (PubChem CID 13165515) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
PubChem CID13165515
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
SMILESCCCCCC1CC(C)=NO1
InChIInChI=1S/C9H17NO/c1-3-4-5-6-9-7-8(2)10-11-9/h9H,3-7H2,1-2H3
InChIKeyTZJCMMYFCAXVRY-UHFFFAOYSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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-Methyl-5-butylisoxazoline
CID 13358884
N-dodecoxypropan-2-imine
CID 13454287
3-Ethyl-5-octyl-4,5-dihydro-1,2-oxazole
CID 13781460
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole (CID 13165515) is 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole is CCCCCC1CC(C)=NO1.
What is the InChIKey of 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The InChIKey is TZJCMMYFCAXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-6-9-7-8(2)10-11-9/h9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13165515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).