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

C21H30FN3O3 — CID 24719676

IUPACN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC(C)C)C(=O)COC
InChIInChI=1S/C21H30FN3O3/c1-6-24(7-2)21-18(13-25(12-15(3)4)19(26)14-27-5)20(23-28-21)16-8-10-17(22)11-9-16/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyHPCPJVAREGNRMG-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.96
Rot. Bonds10

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

N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (PubChem CID 24719676) has the molecular formula C21H30FN3O3 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
PubChem CID24719676
Molecular FormulaC21H30FN3O3
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC NameN-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC(C)C)C(=O)COC
InChIInChI=1S/C21H30FN3O3/c1-6-24(7-2)21-18(13-25(12-15(3)4)19(26)14-27-5)20(23-28-21)16-8-10-17(22)11-9-16/h8-11,15H,6-7,12-14H2,1-5H3
InChIKeyHPCPJVAREGNRMG-UHFFFAOYSA-N
XLogP3.96
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42682690
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-3-methyl-N-propan-2-ylbutanamide
CID 24719682
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 24719645
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 24719644
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93206878
1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42842124
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 42840156
N-[(2S)-butan-2-yl]-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyacetamide
CID 93222250
(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol
CID 93207716
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 24719720
3-ethyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 24719798

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (CID 24719676) is N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC(C)C)C(=O)COC.
What is the InChIKey of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The InChIKey is HPCPJVAREGNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O3/c1-6-24(7-2)21-18(13-25(12-15(3)4)19(26)14-27-5)20(23-28-21)16-8-10-17(22)11-9-16/h8-11,15H,6-7,12-14H2,1-5H3.
What are the key properties of N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24719676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).