2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene

C15H27NO2 — CID 142209959

IUPAC2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
SMILESC/C=C(\C)c1nc(C)c(CCO)o1.C=CC.CC
InChIInChI=1S/C10H15NO2.C3H6.C2H6/c1-4-7(2)10-11-8(3)9(13-10)5-6-12;1-3-2;1-2/h4,12H,5-6H2,1-3H3;3H,1H2,2H3;1-2H3/b7-4+;;
InChIKeyKOBXVISNEMMJTE-RDRKJGRWSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

About 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene

2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene (PubChem CID 142209959) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene.

Molecular Properties

Compound Name2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
PubChem CID142209959
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene
SMILESC/C=C(\C)c1nc(C)c(CCO)o1.C=CC.CC
InChIInChI=1S/C10H15NO2.C3H6.C2H6/c1-4-7(2)10-11-8(3)9(13-10)5-6-12;1-3-2;1-2/h4,12H,5-6H2,1-3H3;3H,1H2,2H3;1-2H3/b7-4+;;
InChIKeyKOBXVISNEMMJTE-RDRKJGRWSA-N
XLogP4.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[2-[(2E,6Z)-4-fluoro-5-methylocta-2,6-dien-2-yl]-4-methyl-1,3-oxazol-5-yl]acetate
CID 142209999
2-[2-[(1E,3E)-3-fluoro-4-methylhexa-1,3,5-trienyl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142210041
2-[2-[(2E,4Z)-7,7-difluorohepta-2,4-dien-3-yl]-5-methyl-1,3-oxazol-4-yl]propan-1-ol
CID 142952129
1-[5-Methyl-2-(3-methylbut-2-en-2-yl)-1,3-oxazol-4-yl]ethanol
CID 20730371
2-[5-methyl-2-[(E)-pent-1-enyl]-1,3-oxazol-4-yl]ethanol
CID 22933314
2-(2-Tert-butyl-4-methyl-1,3-oxazol-5-yl)ethanol
CID 67089857
2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]ethanol
CID 69058947
2-[5-Methyl-2-(4-methylpent-1-enyl)-1,3-oxazol-4-yl]ethanol
CID 69058948
2-[5-Methyl-2-(1-penten-1-yl)oxazol-4-yl]ethanol
CID 69060333
2-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-ol
CID 83674188
but-1-ene;ethyl 2-[4-methyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-yl]acetate;propane
CID 142209935
2-[2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methyl-1,3-oxazol-5-yl]ethanol
CID 142209964

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene?
The IUPAC name of 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene (CID 142209959) is 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene.
What is the SMILES notation for 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene?
The canonical SMILES for 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene is C/C=C(\C)c1nc(C)c(CCO)o1.C=CC.CC.
What is the InChIKey of 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene?
The InChIKey is KOBXVISNEMMJTE-RDRKJGRWSA-N. The full InChI is InChI=1S/C10H15NO2.C3H6.C2H6/c1-4-7(2)10-11-8(3)9(13-10)5-6-12;1-3-2;1-2/h4,12H,5-6H2,1-3H3;3H,1H2,2H3;1-2H3/b7-4+;;.
What are the key properties of 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene?
2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene has a molecular weight of 253.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-but-2-en-2-yl]-4-methyl-1,3-oxazol-5-yl]ethanol;ethane;prop-1-ene is sourced from PubChem (CID 142209959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).