3-non-1-en-2-yl-1,2-oxazole

C12H19NO — CID 175339452

IUPAC3-non-1-en-2-yl-1,2-oxazole
SMILESC=C(CCCCCCC)c1ccon1
InChIInChI=1S/C12H19NO/c1-3-4-5-6-7-8-11(2)12-9-10-14-13-12/h9-10H,2-8H2,1H3
InChIKeyFMNXOEYSYONBTP-UHFFFAOYSA-N
MW193.29 g/mol
LogP4.05
Rot. Bonds7

About 3-non-1-en-2-yl-1,2-oxazole

3-non-1-en-2-yl-1,2-oxazole (PubChem CID 175339452) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-non-1-en-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-non-1-en-2-yl-1,2-oxazole
PubChem CID175339452
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-non-1-en-2-yl-1,2-oxazole
SMILESC=C(CCCCCCC)c1ccon1
InChIInChI=1S/C12H19NO/c1-3-4-5-6-7-8-11(2)12-9-10-14-13-12/h9-10H,2-8H2,1H3
InChIKeyFMNXOEYSYONBTP-UHFFFAOYSA-N
XLogP4.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 54.05
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

2-hept-1-en-2-ylpyridine
CID 67857415
4-tetracos-1-en-2-ylpyridine
CID 69120272
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
dec-1-en-2-yl(trimethyl)silane
CID 11665658
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-hex-1-en-2-ylfuran
CID 91416997
henicos-1-en-2-ol
CID 90735098
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259

Frequently Asked Questions

What is the IUPAC name of 3-non-1-en-2-yl-1,2-oxazole?
The IUPAC name of 3-non-1-en-2-yl-1,2-oxazole (CID 175339452) is 3-non-1-en-2-yl-1,2-oxazole.
What is the SMILES notation for 3-non-1-en-2-yl-1,2-oxazole?
The canonical SMILES for 3-non-1-en-2-yl-1,2-oxazole is C=C(CCCCCCC)c1ccon1.
What is the InChIKey of 3-non-1-en-2-yl-1,2-oxazole?
The InChIKey is FMNXOEYSYONBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-4-5-6-7-8-11(2)12-9-10-14-13-12/h9-10H,2-8H2,1H3.
What are the key properties of 3-non-1-en-2-yl-1,2-oxazole?
3-non-1-en-2-yl-1,2-oxazole has a molecular weight of 193.29 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-non-1-en-2-yl-1,2-oxazole is sourced from PubChem (CID 175339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).