N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C22H24FN3O2 — CID 110281714

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-4-6-17(7-5-15)21-14-20(25-28-21)22(27)24-19(12-13-26(2)3)16-8-10-18(23)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)
InChIKeyWDIVIWULCGYUQD-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.21
Rot. Bonds7

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 110281714) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID110281714
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-4-6-17(7-5-15)21-14-20(25-28-21)22(27)24-19(12-13-26(2)3)16-8-10-18(23)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)
InChIKeyWDIVIWULCGYUQD-UHFFFAOYSA-N
XLogP4.21
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
(3S)-3-(3-bromophenyl)-3-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 97259318
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 110281714) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WDIVIWULCGYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-4-6-17(7-5-15)21-14-20(25-28-21)22(27)24-19(12-13-26(2)3)16-8-10-18(23)11-9-16/h4-11,14,19H,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110281714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).