N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C35H38Cl2N4O5 — CID 54162523

IUPACN-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCC(C(O)c1ncc(-c2c(Cl)cccc2Cl)o1)N(C)C(=O)CN(Cc1ccccc1)C(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C35H38Cl2N4O5/c1-5-27(32(43)34-38-19-28(46-34)30-25(36)17-12-18-26(30)37)40(4)29(42)21-41(20-23-13-8-6-9-14-23)35(45)31(22(2)3)39-33(44)24-15-10-7-11-16-24/h6-19,22,27,31-32,43H,5,20-21H2,1-4H3,(H,39,44)
InChIKeyOPKWGKAQBVUGDF-UHFFFAOYSA-N
MW665.62 g/mol
LogP6.40
Rot. Bonds13

About N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 54162523) has the molecular formula C35H38Cl2N4O5 and a molecular weight of 665.62 g/mol. Its IUPAC name is N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID54162523
Molecular FormulaC35H38Cl2N4O5
Molecular Weight665.62 g/mol
Exact Mass664.22
IUPAC NameN-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCC(C(O)c1ncc(-c2c(Cl)cccc2Cl)o1)N(C)C(=O)CN(Cc1ccccc1)C(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C35H38Cl2N4O5/c1-5-27(32(43)34-38-19-28(46-34)30-25(36)17-12-18-26(30)37)40(4)29(42)21-41(20-23-13-8-6-9-14-23)35(45)31(22(2)3)39-33(44)24-15-10-7-11-16-24/h6-19,22,27,31-32,43H,5,20-21H2,1-4H3,(H,39,44)
InChIKeyOPKWGKAQBVUGDF-UHFFFAOYSA-N
XLogP6.40
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.62
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol
CID 20774780
3-[[2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetyl]amino]-4-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-4-oxobutanoic acid
CID 54393543
(3S)-3-[[2-[[(2S)-2-benzamido-3-methylbutanoyl]-benzylamino]acetyl]amino]-4-oxobutanoic acid
CID 54405243
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477
(3S)-3-[[2-[(3-acetamidophenyl)methyl-[(2S)-2-benzamido-3-methylbutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18667114
3-[[2-[(3-acetamidophenyl)methyl-(2-benzamido-3-methylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 22117124
tert-butyl N-[(2S)-1-[benzyl-[3-[benzyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10628201
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 54162523) is N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CCC(C(O)c1ncc(-c2c(Cl)cccc2Cl)o1)N(C)C(=O)CN(Cc1ccccc1)C(=O)C(NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is OPKWGKAQBVUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38Cl2N4O5/c1-5-27(32(43)34-38-19-28(46-34)30-25(36)17-12-18-26(30)37)40(4)29(42)21-41(20-23-13-8-6-9-14-23)35(45)31(22(2)3)39-33(44)24-15-10-7-11-16-24/h6-19,22,27,31-32,43H,5,20-21H2,1-4H3,(H,39,44).
What are the key properties of N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 665.62 g/mol, XLogP of 6.40, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl-[2-[[1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-1-hydroxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 54162523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).