N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide

C25H24ClN5O4 — CID 21343423

IUPACN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1
InChIInChI=1S/C25H24ClN5O4/c1-30(24(32)15-31-8-10-33-11-9-31)21-5-3-2-4-19(21)23-14-28-25(35-23)29-17-6-7-18(20(26)12-17)22-13-27-16-34-22/h2-7,12-14,16H,8-11,15H2,1H3,(H,28,29)
InChIKeyZADAIXZDJYDNJE-UHFFFAOYSA-N
MW493.95 g/mol
LogP4.69
Rot. Bonds7

About N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide

N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 21343423) has the molecular formula C25H24ClN5O4 and a molecular weight of 493.95 g/mol. Its IUPAC name is N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID21343423
Molecular FormulaC25H24ClN5O4
Molecular Weight493.95 g/mol
Exact Mass493.15
IUPAC NameN-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1
InChIInChI=1S/C25H24ClN5O4/c1-30(24(32)15-31-8-10-33-11-9-31)21-5-3-2-4-19(21)23-14-28-25(35-23)29-17-6-7-18(20(26)12-17)22-13-27-16-34-22/h2-7,12-14,16H,8-11,15H2,1H3,(H,28,29)
InChIKeyZADAIXZDJYDNJE-UHFFFAOYSA-N
XLogP4.69
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide (CID 21343423) is N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide is CN(C(=O)CN1CCOCC1)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Cl)c2)o1.
What is the InChIKey of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is ZADAIXZDJYDNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4/c1-30(24(32)15-31-8-10-33-11-9-31)21-5-3-2-4-19(21)23-14-28-25(35-23)29-17-6-7-18(20(26)12-17)22-13-27-16-34-22/h2-7,12-14,16H,8-11,15H2,1H3,(H,28,29).
What are the key properties of N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide?
N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 493.95 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-chloro-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 21343423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).