2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol

C21H30N2O4 — CID 142910946

IUPAC2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
SMILESCC.CCO.Cc1nc(-c2cccc(-c3nc(CCO)c(C)o3)c2)oc1C
InChIInChI=1S/C17H18N2O3.C2H6O.C2H6/c1-10-11(2)21-16(18-10)13-5-4-6-14(9-13)17-19-15(7-8-20)12(3)22-17;1-2-3;1-2/h4-6,9,20H,7-8H2,1-3H3;3H,2H2,1H3;1-2H3
InChIKeyBGDNYHHIYSBLFL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.48
Rot. Bonds4

About 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol

2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol (PubChem CID 142910946) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol.

Molecular Properties

Compound Name2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
PubChem CID142910946
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
SMILESCC.CCO.Cc1nc(-c2cccc(-c3nc(CCO)c(C)o3)c2)oc1C
InChIInChI=1S/C17H18N2O3.C2H6O.C2H6/c1-10-11(2)21-16(18-10)13-5-4-6-14(9-13)17-19-15(7-8-20)12(3)22-17;1-2-3;1-2/h4-6,9,20H,7-8H2,1-3H3;3H,2H2,1H3;1-2H3
InChIKeyBGDNYHHIYSBLFL-UHFFFAOYSA-N
XLogP4.48
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol with MolForge

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Related Compounds

2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 82220028
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 58979003
4-(5-bromopentyl)-5-methyl-2-phenyl-1,3-oxazole;5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)pentan-1-ol
CID 159710828
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91911995
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 53404213
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl methanesulfonate
CID 88938145
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
3-butyl-4-[2-[5-methyl-2-(3-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol
CID 22633485

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol?
The IUPAC name of 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol (CID 142910946) is 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol.
What is the SMILES notation for 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol?
The canonical SMILES for 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol is CC.CCO.Cc1nc(-c2cccc(-c3nc(CCO)c(C)o3)c2)oc1C.
What is the InChIKey of 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol?
The InChIKey is BGDNYHHIYSBLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3.C2H6O.C2H6/c1-10-11(2)21-16(18-10)13-5-4-6-14(9-13)17-19-15(7-8-20)12(3)22-17;1-2-3;1-2/h4-6,9,20H,7-8H2,1-3H3;3H,2H2,1H3;1-2H3.
What are the key properties of 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol?
2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol has a molecular weight of 374.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol is sourced from PubChem (CID 142910946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).