5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C26H25N3O5 — CID 139582584

IUPAC5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O5/c1-17-8-10-19(11-9-17)21-15-20(28-34-21)26(30)29(24-7-5-6-12-27-24)16-18-13-22(31-2)25(33-4)23(14-18)32-3/h5-15H,16H2,1-4H3
InChIKeyHQXQRFQDMONUCV-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.92
Rot. Bonds8

About 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 139582584) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID139582584
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O5/c1-17-8-10-19(11-9-17)21-15-20(28-34-21)26(30)29(24-7-5-6-12-27-24)16-18-13-22(31-2)25(33-4)23(14-18)32-3/h5-15H,16H2,1-4H3
InChIKeyHQXQRFQDMONUCV-UHFFFAOYSA-N
XLogP4.92
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 139583066
3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 35578892
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 35041654
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280222
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573519
3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573006
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
N-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070569
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011050

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 139582584) is 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1cc(CN(C(=O)c2cc(-c3ccc(C)cc3)on2)c2ccccn2)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HQXQRFQDMONUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-8-10-19(11-9-17)21-15-20(28-34-21)26(30)29(24-7-5-6-12-27-24)16-18-13-22(31-2)25(33-4)23(14-18)32-3/h5-15H,16H2,1-4H3.
What are the key properties of 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).