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

C25H27FN4O4 — CID 55487313

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN4O4/c1-29(17-23(31)28-18-6-8-19(9-7-18)30-12-14-33-15-13-30)25(32)11-10-24-27-16-22(34-24)20-4-2-3-5-21(20)26/h2-9,16H,10-15,17H2,1H3,(H,28,31)
InChIKeyBNNSMQVCBDOJHJ-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.35
Rot. Bonds8

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 55487313) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID55487313
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C25H27FN4O4/c1-29(17-23(31)28-18-6-8-19(9-7-18)30-12-14-33-15-13-30)25(32)11-10-24-27-16-22(34-24)20-4-2-3-5-21(20)26/h2-9,16H,10-15,17H2,1H3,(H,28,31)
InChIKeyBNNSMQVCBDOJHJ-UHFFFAOYSA-N
XLogP3.35
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.35
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-chlorophenyl)-1,3-oxazol-2-yl]-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 134011139
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 78866393
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30771703
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 24516679
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 29481269
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 55487313) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is BNNSMQVCBDOJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-29(17-23(31)28-18-6-8-19(9-7-18)30-12-14-33-15-13-30)25(32)11-10-24-27-16-22(34-24)20-4-2-3-5-21(20)26/h2-9,16H,10-15,17H2,1H3,(H,28,31).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 466.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55487313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).