acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole

C11H19NO — CID 143617767

IUPACacetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
SMILESC#C.CCCCC[C@@H]1CC(C)=NO1
InChIInChI=1S/C9H17NO.C2H2/c1-3-4-5-6-9-7-8(2)10-11-9;1-2/h9H,3-7H2,1-2H3;1-2H/t9-;/m1./s1
InChIKeyMWXVDWJDJOUWMJ-SBSPUUFOSA-N
MW181.28 g/mol
LogP2.98
Rot. Bonds4

About acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole

acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole (PubChem CID 143617767) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Nameacetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
PubChem CID143617767
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameacetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole
SMILESC#C.CCCCC[C@@H]1CC(C)=NO1
InChIInChI=1S/C9H17NO.C2H2/c1-3-4-5-6-9-7-8(2)10-11-9;1-2/h9H,3-7H2,1-2H3;1-2H/t9-;/m1./s1
InChIKeyMWXVDWJDJOUWMJ-SBSPUUFOSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
5-pentyl-3-[4-(5-pentyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 86091004
1-(5-heptyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418661
5-butyl-3-methoxy-4,5-dihydro-1,2-oxazole
CID 13301196
5-octyl-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole
CID 91719392
5-octyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 91719391
3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 14616471
4-heptyl-1,3,2-dioxathiolane
CID 90837158
1-(5-butyl-4,5-dihydro-1,2-oxazol-3-yl)pentan-1-one
CID 15192473
4-dodecyloxetan-2-one
CID 90110174
4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
CID 69342031
(2R)-2-pentyloxirane
CID 11147691

Frequently Asked Questions

What is the IUPAC name of acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole (CID 143617767) is acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole is C#C.CCCCC[C@@H]1CC(C)=NO1.
What is the InChIKey of acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
The InChIKey is MWXVDWJDJOUWMJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H17NO.C2H2/c1-3-4-5-6-9-7-8(2)10-11-9;1-2/h9H,3-7H2,1-2H3;1-2H/t9-;/m1./s1.
What are the key properties of acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole?
acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(5R)-3-methyl-5-pentyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143617767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).