ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol

C23H33NO3 — CID 143281900

IUPACethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol
SMILESCC.CC.CCc1cc(-c2nocc2C2=CC=C(C)CC2)c(O)cc1OC
InChIInChI=1S/C19H21NO3.2C2H6/c1-4-13-9-15(17(21)10-18(13)22-3)19-16(11-23-20-19)14-7-5-12(2)6-8-14;2*1-2/h5,7,9-11,21H,4,6,8H2,1-3H3;2*1-2H3
InChIKeySYCKWNXEJCEACW-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.79
Rot. Bonds4

About ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol

ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol (PubChem CID 143281900) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Nameethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol
PubChem CID143281900
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Nameethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol
SMILESCC.CC.CCc1cc(-c2nocc2C2=CC=C(C)CC2)c(O)cc1OC
InChIInChI=1S/C19H21NO3.2C2H6/c1-4-13-9-15(17(21)10-18(13)22-3)19-16(11-23-20-19)14-7-5-12(2)6-8-14;2*1-2/h5,7,9-11,21H,4,6,8H2,1-3H3;2*1-2H3
InChIKeySYCKWNXEJCEACW-UHFFFAOYSA-N
XLogP6.79
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol with MolForge

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Related Compounds

4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
CID 854607
4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol
CID 854960
2-[3-amino-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-ethyl-5-methoxyphenol
CID 952905
2,5-diethyl-4-methoxyphenol
CID 162375149
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
CID 58178174
7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole
CID 90678325
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
N-[2-methoxy-5-[3-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]phenyl]acetamide
CID 58712162
5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-naphthalen-1-yl-1,2-dihydropyrazol-3-one
CID 71214417

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol (CID 143281900) is ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol is CC.CC.CCc1cc(-c2nocc2C2=CC=C(C)CC2)c(O)cc1OC.
What is the InChIKey of ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol?
The InChIKey is SYCKWNXEJCEACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3.2C2H6/c1-4-13-9-15(17(21)10-18(13)22-3)19-16(11-23-20-19)14-7-5-12(2)6-8-14;2*1-2/h5,7,9-11,21H,4,6,8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol?
ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol has a molecular weight of 371.52 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-methoxy-2-[4-(4-methylcyclohexa-1,3-dien-1-yl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 143281900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).