1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

C25H27N3O4 — CID 56668338

IUPAC1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKeyOXBSHUXFUXMVHL-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.43
Rot. Bonds10

About 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56668338) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56668338
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3
InChIKeyOXBSHUXFUXMVHL-UHFFFAOYSA-N
XLogP5.43
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16190663
4,5-Dimethyl-2-[4-[5-(3-methylisoxazol-5-yl)pentoxy]phenyl]oxazole
CID 515337
2-(4-Ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 891985
2-({[2-(4-Ethoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)-1-[4-(furan-2-carbonyl)piperazin-1-YL]ethan-1-one
CID 4175768
3-(Methyl-{3-[4-(4-oxazol-2-yl-phenoxy)-phenoxy]-propyl}-amino)-propionic acid
CID 9822092
2-((4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzyl)amino)acetic acid
CID 9825302
2-{4-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenoxy]-phenyl}-oxazole
CID 9884772
2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683
2-[cyclohexyl-[2-[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53393839
2-Amino-2-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 118716158
Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CID 137635377
(E)-3-fluoro-2-[[4-(4-methyl-1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (CID 56668338) is 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is CCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is OXBSHUXFUXMVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-29-22-10-6-18(7-11-22)24-26-20(16-31-24)14-28(3)15-21-17-32-25(27-21)19-8-12-23(13-9-19)30-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 433.51 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56668338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).