3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H15F4N3O2 — CID 45178175

IUPAC3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)C1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C18H15F4N3O2/c19-12-5-3-4-11(8-12)9-13-10-15(27-25-13)17(26)24-16(18(20,21)22)14-6-1-2-7-23-14/h1-8,15-16H,9-10H2,(H,24,26)
InChIKeyUSDAVZAJBXSSOA-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.33
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45178175) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45178175
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC(c1ccccn1)C(F)(F)F)C1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C18H15F4N3O2/c19-12-5-3-4-11(8-12)9-13-10-15(27-25-13)17(26)24-16(18(20,21)22)14-6-1-2-7-23-14/h1-8,15-16H,9-10H2,(H,24,26)
InChIKeyUSDAVZAJBXSSOA-UHFFFAOYSA-N
XLogP3.33
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45178175) is 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC(c1ccccn1)C(F)(F)F)C1CC(Cc2cccc(F)c2)=NO1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is USDAVZAJBXSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c19-12-5-3-4-11(8-12)9-13-10-15(27-25-13)17(26)24-16(18(20,21)22)14-6-1-2-7-23-14/h1-8,15-16H,9-10H2,(H,24,26).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 381.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45178175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).