2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

C22H21Cl2N3O3 — CID 10138515

IUPAC2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3ccccc3CN3CCOCC3)no2)c1)C(Cl)Cl
InChIInChI=1S/C22H21Cl2N3O3/c23-21(24)22(28)25-17-6-3-5-15(12-17)20-13-19(26-30-20)18-7-2-1-4-16(18)14-27-8-10-29-11-9-27/h1-7,12-13,21H,8-11,14H2,(H,25,28)
InChIKeyCCGWRLYYUKLPBL-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.58
Rot. Bonds6

About 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 10138515) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID10138515
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cc(-c3ccccc3CN3CCOCC3)no2)c1)C(Cl)Cl
InChIInChI=1S/C22H21Cl2N3O3/c23-21(24)22(28)25-17-6-3-5-15(12-17)20-13-19(26-30-20)18-7-2-1-4-16(18)14-27-8-10-29-11-9-27/h1-7,12-13,21H,8-11,14H2,(H,25,28)
InChIKeyCCGWRLYYUKLPBL-UHFFFAOYSA-N
XLogP4.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]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

2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007268
2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007241
1-(3,3-diphenylpropyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16736322
ethyl 2-[5-[3-[(2,2-dichloroacetyl)amino]phenyl]-1,2-oxazol-3-yl]pyridine-3-carboxylate
CID 10432235
2-[2-(morpholin-4-ylmethyl)phenyl]pyridine-4-carboxamide
CID 50967003
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
N-(3-bromophenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036296
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
1-[4-[3-anilino-7-(morpholin-4-ylmethyl)-2,1-benzoxazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
CID 69410147

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (CID 10138515) is 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is O=C(Nc1cccc(-c2cc(-c3ccccc3CN3CCOCC3)no2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is CCGWRLYYUKLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c23-21(24)22(28)25-17-6-3-5-15(12-17)20-13-19(26-30-20)18-7-2-1-4-16(18)14-27-8-10-29-11-9-27/h1-7,12-13,21H,8-11,14H2,(H,25,28).
What are the key properties of 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?
2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 446.33 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[3-[2-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 10138515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).