N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide

C33H31N3O6 — CID 18791450

IUPACN-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C3=NCCO3)cc2)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C33H31N3O6/c1-21-8-15-27(30(18-21)42-20-22-9-11-23(12-10-22)32-34-16-17-41-32)36(2)33(39)24-13-14-26(29(19-24)40-3)35-31(38)25-6-4-5-7-28(25)37/h4-15,18-19,37H,16-17,20H2,1-3H3,(H,35,38)
InChIKeyXQUPATISDWXUPK-UHFFFAOYSA-N
MW565.63 g/mol
LogP5.59
Rot. Bonds9

About N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide

N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide (PubChem CID 18791450) has the molecular formula C33H31N3O6 and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide
PubChem CID18791450
Molecular FormulaC33H31N3O6
Molecular Weight565.63 g/mol
Exact Mass565.22
IUPAC NameN-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C3=NCCO3)cc2)ccc1NC(=O)c1ccccc1O
InChIInChI=1S/C33H31N3O6/c1-21-8-15-27(30(18-21)42-20-22-9-11-23(12-10-22)32-34-16-17-41-32)36(2)33(39)24-13-14-26(29(19-24)40-3)35-31(38)25-6-4-5-7-28(25)37/h4-15,18-19,37H,16-17,20H2,1-3H3,(H,35,38)
InChIKeyXQUPATISDWXUPK-UHFFFAOYSA-N
XLogP5.59
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010907
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22011026
2-amino-N-[2-methoxy-4-[[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]-methylcarbamoyl]phenyl]-3-nitrobenzamide
CID 18354910
6-[2-[[4-[[2-(4-aminophenyl)benzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]hexanoic acid
CID 22010617
3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010726
2-methoxy-N-methyl-N-(4-methyl-2-phenylmethoxyphenyl)benzamide
CID 140987457
ethyl 6-[2-[[3-methoxy-4-[(2-phenylbenzoyl)amino]benzoyl]-methylamino]-5-methylphenoxy]hexanoate
CID 22010990
4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[4-(dimethylcarbamoylamino)butoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide
CID 70058200
2-amino-3-methoxy-N-methyl-N-[4-methyl-2-[(4-pyrimidin-2-ylphenyl)methoxy]phenyl]benzamide
CID 172838692
4-[[2-[(4-amino-3-methoxybenzoyl)-methylamino]-5-methylphenoxy]methyl]benzoic acid
CID 23226388
4-[(2-aminobenzoyl)amino]-3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzamide;dihydrochloride
CID 18791660
N-[4-[[2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]-2-methyl-1H-benzimidazole-4-carboxamide
CID 18354873

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide (CID 18791450) is N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C3=NCCO3)cc2)ccc1NC(=O)c1ccccc1O.
What is the InChIKey of N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide?
The InChIKey is XQUPATISDWXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O6/c1-21-8-15-27(30(18-21)42-20-22-9-11-23(12-10-22)32-34-16-17-41-32)36(2)33(39)24-13-14-26(29(19-24)40-3)35-31(38)25-6-4-5-7-28(25)37/h4-15,18-19,37H,16-17,20H2,1-3H3,(H,35,38).
What are the key properties of N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide?
N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide has a molecular weight of 565.63 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 18791450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).