ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane

C25H37NO2 — CID 158075817

IUPACethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane
SMILESC.C.CC.CCc1cccc(O)c1.CCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C13H13NO.C8H10O.C2H6.2CH4/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11;1-2-7-4-3-5-8(9)6-7;1-2;;/h3-10H,2H2,1H3;3-6,9H,2H2,1H3;1-2H3;2*1H4
InChIKeyFMIYNEAVDQTBDL-UHFFFAOYSA-N
MW383.58 g/mol
LogP7.66
Rot. Bonds4

About ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane

ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane (PubChem CID 158075817) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane.

Molecular Properties

Compound Nameethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane
PubChem CID158075817
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Nameethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane
SMILESC.C.CC.CCc1cccc(O)c1.CCc1coc(C=Cc2ccccc2)n1
InChIInChI=1S/C13H13NO.C8H10O.C2H6.2CH4/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11;1-2-7-4-3-5-8(9)6-7;1-2;;/h3-10H,2H2,1H3;3-6,9H,2H2,1H3;1-2H3;2*1H4
InChIKeyFMIYNEAVDQTBDL-UHFFFAOYSA-N
XLogP7.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
CID 153406876
[2-ethyl-5-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl] methanesulfonate
CID 142642853
3-ethylphenol;4-ethylphenol
CID 70541430
3-[[4-(aminomethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083777
[2-[(E)-2-pyridin-4-ylethenyl]-1,3-oxazol-4-yl]methanol
CID 142575704
2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxamide
CID 11117394
3-ethylphenol;3,4,5-trimethylphenol
CID 174466611
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane?
The IUPAC name of ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane (CID 158075817) is ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane.
What is the SMILES notation for ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane?
The canonical SMILES for ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane is C.C.CC.CCc1cccc(O)c1.CCc1coc(C=Cc2ccccc2)n1.
What is the InChIKey of ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane?
The InChIKey is FMIYNEAVDQTBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C8H10O.C2H6.2CH4/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11;1-2-7-4-3-5-8(9)6-7;1-2;;/h3-10H,2H2,1H3;3-6,9H,2H2,1H3;1-2H3;2*1H4.
What are the key properties of ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane?
ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane has a molecular weight of 383.58 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane is sourced from PubChem (CID 158075817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).