3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide

C24H25FN4O4 — CID 55605925

IUPAC3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H25FN4O4/c1-16-22(23(27-33-16)17-3-5-18(25)6-4-17)24(31)28(2)15-21(30)26-19-7-9-20(10-8-19)29-11-13-32-14-12-29/h3-10H,11-15H2,1-2H3,(H,26,30)
InChIKeyGEMVKINDQFKXPR-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.34
Rot. Bonds6

About 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide (PubChem CID 55605925) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide
PubChem CID55605925
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H25FN4O4/c1-16-22(23(27-33-16)17-3-5-18(25)6-4-17)24(31)28(2)15-21(30)26-19-7-9-20(10-8-19)29-11-13-32-14-12-29/h3-10H,11-15H2,1-2H3,(H,26,30)
InChIKeyGEMVKINDQFKXPR-UHFFFAOYSA-N
XLogP3.34
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide (CID 55605925) is 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GEMVKINDQFKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-16-22(23(27-33-16)17-3-5-18(25)6-4-17)24(31)28(2)15-21(30)26-19-7-9-20(10-8-19)29-11-13-32-14-12-29/h3-10H,11-15H2,1-2H3,(H,26,30).
What are the key properties of 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55605925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).