N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C39H41N3O5 — CID 24773624

IUPACN-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C39H41N3O5/c1-3-31-23-33(35(46-27-30-13-9-6-10-14-30)24-34(31)45-26-29-11-7-5-8-12-29)38-36(37(41-47-38)39(43)40-4-2)32-17-15-28(16-18-32)25-42-19-21-44-22-20-42/h5-18,23-24H,3-4,19-22,25-27H2,1-2H3,(H,40,43)
InChIKeyQIEMNJUNQZLWSN-UHFFFAOYSA-N
MW631.77 g/mol
LogP7.31
Rot. Bonds13

About N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 24773624) has the molecular formula C39H41N3O5 and a molecular weight of 631.77 g/mol. Its IUPAC name is N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID24773624
Molecular FormulaC39H41N3O5
Molecular Weight631.77 g/mol
Exact Mass631.30
IUPAC NameN-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C39H41N3O5/c1-3-31-23-33(35(46-27-30-13-9-6-10-14-30)24-34(31)45-26-29-11-7-5-8-12-29)38-36(37(41-47-38)39(43)40-4-2)32-17-15-28(16-18-32)25-42-19-21-44-22-20-42/h5-18,23-24H,3-4,19-22,25-27H2,1-2H3,(H,40,43)
InChIKeyQIEMNJUNQZLWSN-UHFFFAOYSA-N
XLogP7.31
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.77
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749950
5-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 157463878
5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 135823107
5-[2-butoxy-4-hydroxy-5-(2-methylpropyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 136624722
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 157137978
N-ethyl-5-[5-(2-fluorophenyl)-2,4-dihydroxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749946
N-ethyl-5-(2-ethyl-4,6-dihydroxy-3-phenylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 175314254
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 135265032
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167677624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 24773624) is N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(CC)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QIEMNJUNQZLWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N3O5/c1-3-31-23-33(35(46-27-30-13-9-6-10-14-30)24-34(31)45-26-29-11-7-5-8-12-29)38-36(37(41-47-38)39(43)40-4-2)32-17-15-28(16-18-32)25-42-19-21-44-22-20-42/h5-18,23-24H,3-4,19-22,25-27H2,1-2H3,(H,40,43).
What are the key properties of N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 631.77 g/mol, XLogP of 7.31, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24773624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).