N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide

C16H15F3N2O3 — CID 90325880

IUPACN-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(Cc2ccc(F)c(F)c2F)on1
InChIInChI=1S/C16H15F3N2O3/c17-12-2-1-10(14(18)15(12)19)5-11-6-13(21-24-11)16(22)20-7-9-3-4-23-8-9/h1-2,6,9H,3-5,7-8H2,(H,20,22)
InChIKeyJZUBPSAAHABXNQ-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.45
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 90325880) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID90325880
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(Cc2ccc(F)c(F)c2F)on1
InChIInChI=1S/C16H15F3N2O3/c17-12-2-1-10(14(18)15(12)19)5-11-6-13(21-24-11)16(22)20-7-9-3-4-23-8-9/h1-2,6,9H,3-5,7-8H2,(H,20,22)
InChIKeyJZUBPSAAHABXNQ-UHFFFAOYSA-N
XLogP2.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 90325880) is N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(Cc2ccc(F)c(F)c2F)on1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JZUBPSAAHABXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-12-2-1-10(14(18)15(12)19)5-11-6-13(21-24-11)16(22)20-7-9-3-4-23-8-9/h1-2,6,9H,3-5,7-8H2,(H,20,22).
What are the key properties of N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-[(2,3,4-trifluorophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).