3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide

C23H22ClN3O5 — CID 1326689

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22ClN3O5/c1-15-21(22(26-32-15)18-4-2-3-5-19(18)24)23(29)25-16-6-8-17(9-7-16)31-14-20(28)27-10-12-30-13-11-27/h2-9H,10-14H2,1H3,(H,25,29)
InChIKeyHITDZAVSZADBHH-UHFFFAOYSA-N
MW455.90 g/mol
LogP3.79
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 1326689) has the molecular formula C23H22ClN3O5 and a molecular weight of 455.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID1326689
Molecular FormulaC23H22ClN3O5
Molecular Weight455.90 g/mol
Exact Mass455.12
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H22ClN3O5/c1-15-21(22(26-32-15)18-4-2-3-5-19(18)24)23(29)25-16-6-8-17(9-7-16)31-14-20(28)27-10-12-30-13-11-27/h2-9H,10-14H2,1H3,(H,25,29)
InChIKeyHITDZAVSZADBHH-UHFFFAOYSA-N
XLogP3.79
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide 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

3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2873224
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2083748
3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2769310
N4-(4-morpholinophenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2796800

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 1326689) is 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is HITDZAVSZADBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O5/c1-15-21(22(26-32-15)18-4-2-3-5-19(18)24)23(29)25-16-6-8-17(9-7-16)31-14-20(28)27-10-12-30-13-11-27/h2-9H,10-14H2,1H3,(H,25,29).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 455.90 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1326689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).