3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

C26H33N3O4 — CID 46023429

IUPAC3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H33N3O4/c1-19(2)28(3)26-23(24(27-33-26)20-11-7-6-8-12-20)18-29(15-10-16-31-4)25(30)21-13-9-14-22(17-21)32-5/h6-9,11-14,17,19H,10,15-16,18H2,1-5H3
InChIKeyBPOMUPQSEQQXRG-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.87
Rot. Bonds11

About 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide

3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 46023429) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID46023429
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
SMILESCOCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C26H33N3O4/c1-19(2)28(3)26-23(24(27-33-26)20-11-7-6-8-12-20)18-29(15-10-16-31-4)25(30)21-13-9-14-22(17-21)32-5/h6-9,11-14,17,19H,10,15-16,18H2,1-5H3
InChIKeyBPOMUPQSEQQXRG-UHFFFAOYSA-N
XLogP4.87
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153579
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027793
3-methoxy-N-(3-methylbutyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843865
N-butan-2-yl-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 24719625
N-(furan-2-ylmethyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]acetamide
CID 42841535
N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 46023433
4-chloro-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46018918
2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 42843727
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 42841539
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide (CID 46023429) is 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is COCCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is BPOMUPQSEQQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-19(2)28(3)26-23(24(27-33-26)20-11-7-6-8-12-20)18-29(15-10-16-31-4)25(30)21-13-9-14-22(17-21)32-5/h6-9,11-14,17,19H,10,15-16,18H2,1-5H3.
What are the key properties of 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide?
3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxypropyl)-N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46023429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).