N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine

C35H36N2O3 — CID 20723606

IUPACN-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCCN(CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H36N2O3/c1-3-37(26-29-16-20-33(21-17-29)40-32-12-8-5-9-13-32)24-22-28-14-18-31(19-15-28)38-25-23-34-27(2)39-35(36-34)30-10-6-4-7-11-30/h4-21H,3,22-26H2,1-2H3
InChIKeyHJLFZQWVNLCAPN-UHFFFAOYSA-N
MW532.68 g/mol
LogP8.13
Rot. Bonds13

About N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine

N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 20723606) has the molecular formula C35H36N2O3 and a molecular weight of 532.68 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine
PubChem CID20723606
Molecular FormulaC35H36N2O3
Molecular Weight532.68 g/mol
Exact Mass532.27
IUPAC NameN-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCCN(CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H36N2O3/c1-3-37(26-29-16-20-33(21-17-29)40-32-12-8-5-9-13-32)24-22-28-14-18-31(19-15-28)38-25-23-34-27(2)39-35(36-34)30-10-6-4-7-11-30/h4-21H,3,22-26H2,1-2H3
InChIKeyHJLFZQWVNLCAPN-UHFFFAOYSA-N
XLogP8.13
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine (CID 20723606) is N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine is CCN(CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is HJLFZQWVNLCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O3/c1-3-37(26-29-16-20-33(21-17-29)40-32-12-8-5-9-13-32)24-22-28-14-18-31(19-15-28)38-25-23-34-27(2)39-35(36-34)30-10-6-4-7-11-30/h4-21H,3,22-26H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine?
N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 532.68 g/mol, XLogP of 8.13, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-N-[(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 20723606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).