N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide

C21H28FN3O4 — CID 42682690

IUPACN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCOCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC(C)C
InChIInChI=1S/C21H28FN3O4/c1-15(2)12-25(19(26)14-27-3)13-18-20(16-4-6-17(22)7-5-16)23-29-21(18)24-8-10-28-11-9-24/h4-7,15H,8-14H2,1-3H3
InChIKeyUWYLNEUOKAOYLL-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.95
Rot. Bonds8

About N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (PubChem CID 42682690) has the molecular formula C21H28FN3O4 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
PubChem CID42682690
Molecular FormulaC21H28FN3O4
Molecular Weight405.47 g/mol
Exact Mass405.21
IUPAC NameN-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCOCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC(C)C
InChIInChI=1S/C21H28FN3O4/c1-15(2)12-25(19(26)14-27-3)13-18-20(16-4-6-17(22)7-5-16)23-29-21(18)24-8-10-28-11-9-24/h4-7,15H,8-14H2,1-3H3
InChIKeyUWYLNEUOKAOYLL-UHFFFAOYSA-N
XLogP2.95
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 24719720
4-chloro-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46023492
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 24719676
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyacetamide
CID 93222250
N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 46023595
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93207761
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 24719750
3-ethyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 24719798
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207768
N-[(2R)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93207767
2-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylacetamide
CID 42844069
4-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 46027748

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (CID 42682690) is N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is COCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC(C)C.
What is the InChIKey of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The InChIKey is UWYLNEUOKAOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O4/c1-15(2)12-25(19(26)14-27-3)13-18-20(16-4-6-17(22)7-5-16)23-29-21(18)24-8-10-28-11-9-24/h4-7,15H,8-14H2,1-3H3.
What are the key properties of N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide has a molecular weight of 405.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 42682690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).