N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide

C20H20N4O4 — CID 37475742

IUPACN-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H20N4O4/c1-13-11-18(24-28-13)23-19(25)12-21-15-5-3-14(4-6-15)20(26)22-16-7-9-17(27-2)10-8-16/h3-11,21H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHPOJIFMBWXCLSB-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.29
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 37475742) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
PubChem CID37475742
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H20N4O4/c1-13-11-18(24-28-13)23-19(25)12-21-15-5-3-14(4-6-15)20(26)22-16-7-9-17(27-2)10-8-16/h3-11,21H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyHPOJIFMBWXCLSB-UHFFFAOYSA-N
XLogP3.29
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109010414
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide (CID 37475742) is N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is HPOJIFMBWXCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-11-18(24-28-13)23-19(25)12-21-15-5-3-14(4-6-15)20(26)22-16-7-9-17(27-2)10-8-16/h3-11,21H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 37475742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).