5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

C18H16F3N3O5 — CID 57383733

IUPAC5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CCc1ccncc1)C(=O)c1cc(-c2ccco2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15N3O3.C2HF3O2/c1-19(9-6-12-4-7-17-8-5-12)16(20)13-11-15(22-18-13)14-3-2-10-21-14;3-2(4,5)1(6)7/h2-5,7-8,10-11H,6,9H2,1H3;(H,6,7)
InChIKeyCHGWBCFUXASIGD-UHFFFAOYSA-N
MW411.34 g/mol
LogP3.28
Rot. Bonds5

About 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid

5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 57383733) has the molecular formula C18H16F3N3O5 and a molecular weight of 411.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID57383733
Molecular FormulaC18H16F3N3O5
Molecular Weight411.34 g/mol
Exact Mass411.10
IUPAC Name5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(CCc1ccncc1)C(=O)c1cc(-c2ccco2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H15N3O3.C2HF3O2/c1-19(9-6-12-4-7-17-8-5-12)16(20)13-11-15(22-18-13)14-3-2-10-21-14;3-2(4,5)1(6)7/h2-5,7-8,10-11H,6,9H2,1H3;(H,6,7)
InChIKeyCHGWBCFUXASIGD-UHFFFAOYSA-N
XLogP3.28
TPSA109.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 57383747
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one
CID 58128735
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119656586
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
2-(furan-2-ylmethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109303271
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 57383733) is 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is CN(CCc1ccncc1)C(=O)c1cc(-c2ccco2)on1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CHGWBCFUXASIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.C2HF3O2/c1-19(9-6-12-4-7-17-8-5-12)16(20)13-11-15(22-18-13)14-3-2-10-21-14;3-2(4,5)1(6)7/h2-5,7-8,10-11H,6,9H2,1H3;(H,6,7).
What are the key properties of 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid?
5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 411.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57383733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).