3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C26H29ClN4O4 — CID 134011139

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C26H29ClN4O4/c1-2-30(18-24(32)29-19-7-9-20(10-8-19)31-13-15-34-16-14-31)26(33)12-11-25-28-17-23(35-25)21-5-3-4-6-22(21)27/h3-10,17H,2,11-16,18H2,1H3,(H,29,32)
InChIKeyHFLAZZKUZVHTHN-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.25
Rot. Bonds9

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 134011139) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID134011139
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C26H29ClN4O4/c1-2-30(18-24(32)29-19-7-9-20(10-8-19)31-13-15-34-16-14-31)26(33)12-11-25-28-17-23(35-25)21-5-3-4-6-22(21)27/h3-10,17H,2,11-16,18H2,1H3,(H,29,32)
InChIKeyHFLAZZKUZVHTHN-UHFFFAOYSA-N
XLogP4.25
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487024
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487313
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30771703
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 134011139) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is HFLAZZKUZVHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-2-30(18-24(32)29-19-7-9-20(10-8-19)31-13-15-34-16-14-31)26(33)12-11-25-28-17-23(35-25)21-5-3-4-6-22(21)27/h3-10,17H,2,11-16,18H2,1H3,(H,29,32).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 497.00 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 134011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).