N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C21H21N3O5 — CID 48994582

IUPACN-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)no2)c1
InChIInChI=1S/C21H21N3O5/c1-13(25)24(2)15-7-5-14(6-8-15)22-21(26)18-12-20(29-23-18)17-11-16(27-3)9-10-19(17)28-4/h5-12H,1-4H3,(H,22,26)
InChIKeyJOYAOQBGBXUZEA-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 48994582) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID48994582
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)no2)c1
InChIInChI=1S/C21H21N3O5/c1-13(25)24(2)15-7-5-14(6-8-15)22-21(26)18-12-20(29-23-18)17-11-16(27-3)9-10-19(17)28-4/h5-12H,1-4H3,(H,22,26)
InChIKeyJOYAOQBGBXUZEA-UHFFFAOYSA-N
XLogP3.59
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 48981792
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 48994582) is N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)no2)c1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JOYAOQBGBXUZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13(25)24(2)15-7-5-14(6-8-15)22-21(26)18-12-20(29-23-18)17-11-16(27-3)9-10-19(17)28-4/h5-12H,1-4H3,(H,22,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 48994582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).