N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C71H76N8O15 — CID 160918560

IUPACN-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESC.C.C.C.C=C(O)c1ccc(C(=O)Nc2cc(O)c(NC(C)=O)cc2O)cc1.CC(=O)Nc1cc(O)c(NC(=O)c2ccc(C(C)=O)cc2)cc1O.CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1
InChIInChI=1S/2C17H16N2O5.C17H16N2O3.C16H12N2O2.4CH4/c2*1-9(20)11-3-5-12(6-4-11)17(24)19-14-8-15(22)13(7-16(14)23)18-10(2)21;1-11(20)13-3-5-14(6-4-13)17(22)19-16-9-7-15(8-10-16)18-12(2)21;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;;;;/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24);3-8,20,22-23H,1H2,2H3,(H,18,21)(H,19,24);3-10H,1-2H3,(H,18,21)(H,19,22);3-8H,1-2H3;4*1H4
InChIKeySRSNOYLTDFZINX-UHFFFAOYSA-N
MW1281.43 g/mol
LogP15.25
Rot. Bonds13

About N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole

N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 160918560) has the molecular formula C71H76N8O15 and a molecular weight of 1281.43 g/mol. Its IUPAC name is N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound NameN-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID160918560
Molecular FormulaC71H76N8O15
Molecular Weight1281.43 g/mol
Exact Mass1280.54
IUPAC NameN-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESC.C.C.C.C=C(O)c1ccc(C(=O)Nc2cc(O)c(NC(C)=O)cc2O)cc1.CC(=O)Nc1cc(O)c(NC(=O)c2ccc(C(C)=O)cc2)cc1O.CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1
InChIInChI=1S/2C17H16N2O5.C17H16N2O3.C16H12N2O2.4CH4/c2*1-9(20)11-3-5-12(6-4-11)17(24)19-14-8-15(22)13(7-16(14)23)18-10(2)21;1-11(20)13-3-5-14(6-4-13)17(22)19-16-9-7-15(8-10-16)18-12(2)21;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;;;;/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24);3-8,20,22-23H,1H2,2H3,(H,18,21)(H,19,24);3-10H,1-2H3,(H,18,21)(H,19,22);3-8H,1-2H3;4*1H4
InChIKeySRSNOYLTDFZINX-UHFFFAOYSA-N
XLogP15.25
TPSA361.95 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001281.43
LogP ≤ 515.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole with MolForge

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Related Compounds

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
CID 58798079
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methylbenzamide
CID 1047427

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 160918560) is N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole is C.C.C.C.C=C(O)c1ccc(C(=O)Nc2cc(O)c(NC(C)=O)cc2O)cc1.CC(=O)Nc1cc(O)c(NC(=O)c2ccc(C(C)=O)cc2)cc1O.CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1.Cc1ccc(-c2nc3cc4oc(C)nc4cc3o2)cc1.
What is the InChIKey of N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is SRSNOYLTDFZINX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N2O5.C17H16N2O3.C16H12N2O2.4CH4/c2*1-9(20)11-3-5-12(6-4-11)17(24)19-14-8-15(22)13(7-16(14)23)18-10(2)21;1-11(20)13-3-5-14(6-4-13)17(22)19-16-9-7-15(8-10-16)18-12(2)21;1-9-3-5-11(6-4-9)16-18-13-8-14-12(7-15(13)20-16)17-10(2)19-14;;;;/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24);3-8,20,22-23H,1H2,2H3,(H,18,21)(H,19,24);3-10H,1-2H3,(H,18,21)(H,19,22);3-8H,1-2H3;4*1H4.
What are the key properties of N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 1281.43 g/mol, XLogP of 15.25, 13 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-dihydroxyphenyl)-4-acetylbenzamide;N-(4-acetamido-2,5-dihydroxyphenyl)-4-(1-hydroxyethenyl)benzamide;N-(4-acetamidophenyl)-4-acetylbenzamide;methane;6-methyl-2-(4-methylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 160918560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).