2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide

C22H22F2N4O3 — CID 68518780

IUPAC2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C22H22F2N4O3/c23-16-2-1-3-17(24)18(16)22-27-19(21(25)29)20(31-22)14-4-6-15(7-5-14)26-8-9-28-10-12-30-13-11-28/h1-7,26H,8-13H2,(H2,25,29)
InChIKeyGAJMBMLDOJKSEE-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.13
Rot. Bonds7

About 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 68518780) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID68518780
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C22H22F2N4O3/c23-16-2-1-3-17(24)18(16)22-27-19(21(25)29)20(31-22)14-4-6-15(7-5-14)26-8-9-28-10-12-30-13-11-28/h1-7,26H,8-13H2,(H2,25,29)
InChIKeyGAJMBMLDOJKSEE-UHFFFAOYSA-N
XLogP3.13
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(2-Chloro-6-fluorophenyl)-5-((4-(morpholine-4-carbonyl)phenyl)amino)oxazole-4-carboxamide
CID 71727668
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
(3S,5S)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54584609
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 2450587
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperazine-1-carbonyl)-cis-cyclohexanecarboxylic Acid
CID 25118652
4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperidine-1-carbonyl)-cis-cyclohexanecarboxylic Acid
CID 25118654
2-(2-fluorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415617

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide (CID 68518780) is 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccc(NCCN2CCOCC2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is GAJMBMLDOJKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-16-2-1-3-17(24)18(16)22-27-19(21(25)29)20(31-22)14-4-6-15(7-5-14)26-8-9-28-10-12-30-13-11-28/h1-7,26H,8-13H2,(H2,25,29).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 68518780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).