4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide

C18H14F3N3O3 — CID 42095467

IUPAC4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-11-15(26-10-24-11)16(25)23-9-12-4-3-7-22-17(12)27-14-6-2-5-13(8-14)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyQCJQVESZMDELBD-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.12
Rot. Bonds5

About 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 42095467) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID42095467
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-11-15(26-10-24-11)16(25)23-9-12-4-3-7-22-17(12)27-14-6-2-5-13(8-14)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyQCJQVESZMDELBD-UHFFFAOYSA-N
XLogP4.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
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1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
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Methyl 2-[6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]-3-pyridinyl]ethanimidate
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Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide (CID 42095467) is 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is QCJQVESZMDELBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-15(26-10-24-11)16(25)23-9-12-4-3-7-22-17(12)27-14-6-2-5-13(8-14)18(19,20)21/h2-8,10H,9H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 42095467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).