N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide

C24H28FN3O2 — CID 24719645

IUPACN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC
InChIInChI=1S/C24H28FN3O2/c1-4-22(29)28(16-18-12-14-20(25)15-13-18)17-21-23(19-10-8-7-9-11-19)26-30-24(21)27(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyBOQSMTAXHIIDBI-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.27
Rot. Bonds9

About N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 24719645) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID24719645
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC
InChIInChI=1S/C24H28FN3O2/c1-4-22(29)28(16-18-12-14-20(25)15-13-18)17-21-23(19-10-8-7-9-11-19)26-30-24(21)27(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyBOQSMTAXHIIDBI-UHFFFAOYSA-N
XLogP5.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 24719676
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 46023691
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 42840156
4-chloro-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46018918
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]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93206878
3-(3-chlorophenyl)-1-(cyclopropylmethyl)-1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]urea
CID 46023781
3-[(4-fluorophenyl)methyl-propanoylamino]-2-methylpropanoic acid
CID 82323322
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-(3-methylbutyl)thiourea
CID 46023361
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93206888

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 24719645) is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(F)cc1)Cc1c(-c2ccccc2)noc1N(CC)CC.
What is the InChIKey of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is BOQSMTAXHIIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-4-22(29)28(16-18-12-14-20(25)15-13-18)17-21-23(19-10-8-7-9-11-19)26-30-24(21)27(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3.
What are the key properties of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide?
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 24719645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).