N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine

C26H33N3O5 — CID 167465454

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
SMILESCOCCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(CN3CCOCC3)co2)c1
InChIInChI=1S/C26H33N3O5/c1-30-13-14-33-25-8-4-6-22(16-25)18-29(17-21-5-3-7-24(15-21)31-2)26-27-23(20-34-26)19-28-9-11-32-12-10-28/h3-8,15-16,20H,9-14,17-19H2,1-2H3
InChIKeyIRWVGQRJRFWKPV-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.75
Rot. Bonds12

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine

N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 167465454) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
PubChem CID167465454
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
SMILESCOCCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(CN3CCOCC3)co2)c1
InChIInChI=1S/C26H33N3O5/c1-30-13-14-33-25-8-4-6-22(16-25)18-29(17-21-5-3-7-24(15-21)31-2)26-27-23(20-34-26)19-28-9-11-32-12-10-28/h3-8,15-16,20H,9-14,17-19H2,1-2H3
InChIKeyIRWVGQRJRFWKPV-UHFFFAOYSA-N
XLogP3.75
TPSA69.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-amine
CID 167465863
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466202
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
4-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-oxazol-2-amine
CID 167466170
N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167465940
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-amine
CID 167466298
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
N-(2-methoxyethyl)-2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834784

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine (CID 167465454) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine is COCCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(CN3CCOCC3)co2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is IRWVGQRJRFWKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-30-13-14-33-25-8-4-6-22(16-25)18-29(17-21-5-3-7-24(15-21)31-2)26-27-23(20-34-26)19-28-9-11-32-12-10-28/h3-8,15-16,20H,9-14,17-19H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 467.57 g/mol, XLogP of 3.75, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 167465454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).