ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate

C14H15F3N4O3 — CID 166301269

IUPACethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C14H15F3N4O3/c1-2-23-12(22)10-8-21-13(24-10)19-6-5-18-11-4-3-9(7-20-11)14(15,16)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,20)(H,19,21)
InChIKeyRVKFKNXPNBCZGD-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.79
Rot. Bonds7

About ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate

ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate (PubChem CID 166301269) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
PubChem CID166301269
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Nameethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C14H15F3N4O3/c1-2-23-12(22)10-8-21-13(24-10)19-6-5-18-11-4-3-9(7-20-11)14(15,16)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,20)(H,19,21)
InChIKeyRVKFKNXPNBCZGD-UHFFFAOYSA-N
XLogP2.79
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
CID 89686792
ethyl 2-[[(1R,2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
CID 89686795
Ethyl 2-[6-[4-(trifluoromethyl)phenyl]-2,6,10-triazatricyclo[9.4.0.03,8]pentadecan-2-yl]-1,3-oxazole-5-carboxylate
CID 123827799
ethyl 2-[[(2R)-2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazole-5-carboxylate
CID 144513395
Ethyl 2-(3-methylanilino)-1,3-oxazole-5-carboxylate
CID 139225274
Ethyl 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1,3-oxazole-5-carboxylate
CID 101584503
Ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-oxazole-5-carboxylate
CID 101584507
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103436406
Ethyl 2-[methyl(pyridin-3-ylmethyl)amino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 132390802
Ethyl 2-[(4-bromopyridin-2-yl)amino]-1,3-oxazole-5-carboxylate
CID 118237980
Ethyl 2-[(4-methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylate
CID 118249150
2-[(4-Methyl-2-pyridinyl)amino]-1,3-oxazole-5-carboxylic acid
CID 118249151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate (CID 166301269) is ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(NCCNc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate?
The InChIKey is RVKFKNXPNBCZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-2-23-12(22)10-8-21-13(24-10)19-6-5-18-11-4-3-9(7-20-11)14(15,16)17/h3-4,7-8H,2,5-6H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate?
ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate has a molecular weight of 344.29 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 166301269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).