5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C16H16F3N3O3 — CID 2810764

IUPAC5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)no1
InChIInChI=1S/C16H16F3N3O3/c1-10-8-13(21-25-10)15(23)20-12-9-11(16(17,18)19)2-3-14(12)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23)
InChIKeyLBSIREMGVMMJIK-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.09
Rot. Bonds3

About 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 2810764) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID2810764
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)no1
InChIInChI=1S/C16H16F3N3O3/c1-10-8-13(21-25-10)15(23)20-12-9-11(16(17,18)19)2-3-14(12)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23)
InChIKeyLBSIREMGVMMJIK-UHFFFAOYSA-N
XLogP3.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 2810764) is 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)no1.
What is the InChIKey of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LBSIREMGVMMJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-8-13(21-25-10)15(23)20-12-9-11(16(17,18)19)2-3-14(12)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23).
What are the key properties of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2810764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).