N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C26H23ClN2O4 — CID 51070066

IUPACN-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c(OC)c1
InChIInChI=1S/C26H23ClN2O4/c1-31-20-12-13-22(24(15-20)32-2)25-14-19(28-33-25)17-29(16-18-8-4-3-5-9-18)26(30)21-10-6-7-11-23(21)27/h3-15H,16-17H2,1-2H3
InChIKeyMGGAFYQSJPFHGH-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.85
Rot. Bonds8

About N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 51070066) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID51070066
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC NameN-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c(OC)c1
InChIInChI=1S/C26H23ClN2O4/c1-31-20-12-13-22(24(15-20)32-2)25-14-19(28-33-25)17-29(16-18-8-4-3-5-9-18)26(30)21-10-6-7-11-23(21)27/h3-15H,16-17H2,1-2H3
InChIKeyMGGAFYQSJPFHGH-UHFFFAOYSA-N
XLogP5.85
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 51070076
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 83281968
1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
CID 51070084
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
N-benzyl-N-[2-(diethylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070724
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
CID 42823001
2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070402

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 51070066) is N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)no2)c(OC)c1.
What is the InChIKey of N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is MGGAFYQSJPFHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-31-20-12-13-22(24(15-20)32-2)25-14-19(28-33-25)17-29(16-18-8-4-3-5-9-18)26(30)21-10-6-7-11-23(21)27/h3-15H,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 462.93 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 51070066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).