2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole

C8H13NO — CID 121293249

IUPAC2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1=NCC(CCC)O1
InChIInChI=1S/C8H13NO/c1-3-5-7-6-9-8(4-2)10-7/h4,7H,2-3,5-6H2,1H3
InChIKeyRPSJOLSVLHFYOU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds3

About 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole

2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole (PubChem CID 121293249) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole
PubChem CID121293249
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1=NCC(CCC)O1
InChIInChI=1S/C8H13NO/c1-3-5-7-6-9-8(4-2)10-7/h4,7H,2-3,5-6H2,1H3
InChIKeyRPSJOLSVLHFYOU-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-4,5-dihydro-1,3-oxazol-5-yl)ethanamine
CID 115060778
3-(2-propyl-4,5-dihydro-1,3-oxazol-5-yl)propanoic acid
CID 115060810
(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine
CID 10446103
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
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3-ethenyl-2-propyl-2,5-dihydrofuran
CID 142713052
3-propyldioxetane
CID 20778371
(3E)-3-(hydroxymethylidene)-5-propyloxolan-2-one
CID 45083163
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-methyl-2-propyl-2,3-dihydro-1-benzofuran
CID 141132371
CID 175475934
CID 175475934
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole (CID 121293249) is 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole is C=CC1=NCC(CCC)O1.
What is the InChIKey of 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RPSJOLSVLHFYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-7-6-9-8(4-2)10-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole?
2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-propyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 121293249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).