3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

C22H26N2O4 — CID 171133295

IUPAC3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C(=O)NCCCc3ccccc3OC)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-22(15-19(24-28-22)16-10-12-18(26-2)13-11-16)21(25)23-14-6-8-17-7-4-5-9-20(17)27-3/h4-5,7,9-13H,6,8,14-15H2,1-3H3,(H,23,25)
InChIKeyBOQALVCKLOCCKC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.34
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 171133295) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID171133295
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C(=O)NCCCc3ccccc3OC)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-22(15-19(24-28-22)16-10-12-18(26-2)13-11-16)21(25)23-14-6-8-17-7-4-5-9-20(17)27-3/h4-5,7,9-13H,6,8,14-15H2,1-3H3,(H,23,25)
InChIKeyBOQALVCKLOCCKC-UHFFFAOYSA-N
XLogP3.34
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465509
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465557
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 171133295) is 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C)(C(=O)NCCCc3ccccc3OC)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is BOQALVCKLOCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(15-19(24-28-22)16-10-12-18(26-2)13-11-16)21(25)23-14-6-8-17-7-4-5-9-20(17)27-3/h4-5,7,9-13H,6,8,14-15H2,1-3H3,(H,23,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 171133295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).