2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide

C40H38N4O8 — CID 171990986

IUPAC2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCNC(=O)Cc3onc(-c4ccc(CO)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C40H38N4O8/c1-49-31-15-11-28(12-16-31)38-34(52-43-39(38)29-9-5-26(24-46)6-10-29)22-36(48)42-20-19-41-35(47)21-33-37(27-7-3-25(23-45)4-8-27)40(44-51-33)30-13-17-32(50-2)18-14-30/h3-18,45-46H,19-24H2,1-2H3,(H,41,47)(H,42,48)
InChIKeyHLBJLAHFDJZOSA-UHFFFAOYSA-N
MW702.76 g/mol
LogP5.35
Rot. Bonds15

About 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide

2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide (PubChem CID 171990986) has the molecular formula C40H38N4O8 and a molecular weight of 702.76 g/mol. Its IUPAC name is 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
PubChem CID171990986
Molecular FormulaC40H38N4O8
Molecular Weight702.76 g/mol
Exact Mass702.27
IUPAC Name2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCCNC(=O)Cc3onc(-c4ccc(CO)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C40H38N4O8/c1-49-31-15-11-28(12-16-31)38-34(52-43-39(38)29-9-5-26(24-46)6-10-29)22-36(48)42-20-19-41-35(47)21-33-37(27-7-3-25(23-45)4-8-27)40(44-51-33)30-13-17-32(50-2)18-14-30/h3-18,45-46H,19-24H2,1-2H3,(H,41,47)(H,42,48)
InChIKeyHLBJLAHFDJZOSA-UHFFFAOYSA-N
XLogP5.35
TPSA169.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.76
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 155773356
1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 161487284
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-(2,4-dimethylhexan-2-yl)acetamide;molecular hydrogen
CID 145389293
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[4-[4-[(6Z,9Z,12Z,15Z)-2-oxohenicosa-6,9,12,15-tetraenyl]phenyl]phenyl]acetamide
CID 158392907
(111C)methyl 2-[4-(4-(111C)methoxyphenyl)-3-(4-(112C)methoxyphenyl)-1,2-oxazol-5-yl]-2-(111C)methyl(312C)propanoate
CID 77105395
methyl 2-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-yl]propanoate
CID 16640377
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide (CID 171990986) is 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide is COc1ccc(-c2noc(CC(=O)NCCNC(=O)Cc3onc(-c4ccc(CO)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(CO)cc2)cc1.
What is the InChIKey of 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide?
The InChIKey is HLBJLAHFDJZOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4O8/c1-49-31-15-11-28(12-16-31)38-34(52-43-39(38)29-9-5-26(24-46)6-10-29)22-36(48)42-20-19-41-35(47)21-33-37(27-7-3-25(23-45)4-8-27)40(44-51-33)30-13-17-32(50-2)18-14-30/h3-18,45-46H,19-24H2,1-2H3,(H,41,47)(H,42,48).
What are the key properties of 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide?
2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide has a molecular weight of 702.76 g/mol, XLogP of 5.35, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 171990986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).