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

C19H14F3N3O2 — CID 2746469

IUPACN-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O2/c1-11-15(16(25-27-11)12-5-3-2-4-6-12)18(26)24-17(23)13-7-9-14(10-8-13)19(20,21)22/h2-10H,1H3,(H2,23,24,26)
InChIKeyOSFRRQALNQTPHH-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.21
Rot. Bonds3

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

N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2746469) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2746469
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O2/c1-11-15(16(25-27-11)12-5-3-2-4-6-12)18(26)24-17(23)13-7-9-14(10-8-13)19(20,21)22/h2-10H,1H3,(H2,23,24,26)
InChIKeyOSFRRQALNQTPHH-UHFFFAOYSA-N
XLogP4.21
TPSA81.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2746469) is N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OSFRRQALNQTPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-11-15(16(25-27-11)12-5-3-2-4-6-12)18(26)24-17(23)13-7-9-14(10-8-13)19(20,21)22/h2-10H,1H3,(H2,23,24,26).
What are the key properties of N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-(trifluoromethyl)phenyl]methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2746469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).