2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C20H20FN3O2 — CID 86913137

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(NCCc2ccc(F)cc2)c2ccccc2)no1
InChIInChI=1S/C20H20FN3O2/c1-14-13-18(24-26-14)23-20(25)19(16-5-3-2-4-6-16)22-12-11-15-7-9-17(21)10-8-15/h2-10,13,19,22H,11-12H2,1H3,(H,23,24,25)
InChIKeyXBTLQYKHJWEUBM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.63
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 86913137) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID86913137
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(NCCc2ccc(F)cc2)c2ccccc2)no1
InChIInChI=1S/C20H20FN3O2/c1-14-13-18(24-26-14)23-20(25)19(16-5-3-2-4-6-16)22-12-11-15-7-9-17(21)10-8-15/h2-10,13,19,22H,11-12H2,1H3,(H,23,24,25)
InChIKeyXBTLQYKHJWEUBM-UHFFFAOYSA-N
XLogP3.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-phenylacetamide
CID 86870242
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166220521
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 86913137) is 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is Cc1cc(NC(=O)C(NCCc2ccc(F)cc2)c2ccccc2)no1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is XBTLQYKHJWEUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-13-18(24-26-14)23-20(25)19(16-5-3-2-4-6-16)22-12-11-15-7-9-17(21)10-8-15/h2-10,13,19,22H,11-12H2,1H3,(H,23,24,25).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 353.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 86913137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).