N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C23H25N3O5 — CID 46476680

IUPACN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccc(C)cc3)no2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C23H25N3O5/c1-15-5-8-17(9-6-15)18-12-21(31-25-18)23(28)24-13-16-7-10-19(20(11-16)29-4)30-14-22(27)26(2)3/h5-12H,13-14H2,1-4H3,(H,24,28)
InChIKeyZEZAZSLWZMWQEH-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.06
Rot. Bonds8

About N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46476680) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID46476680
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccc(C)cc3)no2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C23H25N3O5/c1-15-5-8-17(9-6-15)18-12-21(31-25-18)23(28)24-13-16-7-10-19(20(11-16)29-4)30-14-22(27)26(2)3/h5-12H,13-14H2,1-4H3,(H,24,28)
InChIKeyZEZAZSLWZMWQEH-UHFFFAOYSA-N
XLogP3.06
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46470080
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 46466672
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
2-(4-bromophenoxy)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]propanamide
CID 46477042
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
3-(cyclopentylsulfamoyl)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]benzamide
CID 46477179
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 46476680) is N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is COc1cc(CNC(=O)c2cc(-c3ccc(C)cc3)no2)ccc1OCC(=O)N(C)C.
What is the InChIKey of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZEZAZSLWZMWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15-5-8-17(9-6-15)18-12-21(31-25-18)23(28)24-13-16-7-10-19(20(11-16)29-4)30-14-22(27)26(2)3/h5-12H,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46476680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).