ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine

C24H34N2O2 — CID 91034363

IUPACethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
SMILESCC.CC.Cc1ccc(-c2nc(CCOc3ccc(CN)cc3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O2.2C2H6/c1-14-3-7-17(8-4-14)20-22-19(15(2)24-20)11-12-23-18-9-5-16(13-21)6-10-18;2*1-2/h3-10H,11-13,21H2,1-2H3;2*1-2H3
InChIKeyDWIYWXYAGYPTKI-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.09
Rot. Bonds6

About ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine

ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine (PubChem CID 91034363) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Nameethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
PubChem CID91034363
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Nameethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
SMILESCC.CC.Cc1ccc(-c2nc(CCOc3ccc(CN)cc3)c(C)o2)cc1
InChIInChI=1S/C20H22N2O2.2C2H6/c1-14-3-7-17(8-4-14)20-22-19(15(2)24-20)11-12-23-18-9-5-16(13-21)6-10-18;2*1-2/h3-10H,11-13,21H2,1-2H3;2*1-2H3
InChIKeyDWIYWXYAGYPTKI-UHFFFAOYSA-N
XLogP6.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
CID 10640754
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-phenylmethanamine
CID 59964502
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
2-methyl-2-[4-[2-[5-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 59900655
4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 54399671
4-[2-[4-(hydroperoxymethyl)-3-methylphenoxy]ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 59964499
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
tert-butyl 2-[(4-methylphenyl)methyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetate
CID 20605015
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
ethyl 2-[(4-fluorophenyl)methylamino]-3-[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 22337556
methyl 2-bromo-3-[4-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 88600430

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine?
The IUPAC name of ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine (CID 91034363) is ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine.
What is the SMILES notation for ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine?
The canonical SMILES for ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine is CC.CC.Cc1ccc(-c2nc(CCOc3ccc(CN)cc3)c(C)o2)cc1.
What is the InChIKey of ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine?
The InChIKey is DWIYWXYAGYPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.2C2H6/c1-14-3-7-17(8-4-14)20-22-19(15(2)24-20)11-12-23-18-9-5-16(13-21)6-10-18;2*1-2/h3-10H,11-13,21H2,1-2H3;2*1-2H3.
What are the key properties of ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine?
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine has a molecular weight of 382.55 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine is sourced from PubChem (CID 91034363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).