N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C15H14ClF3N4O2 — CID 33107396

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1
InChIInChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22-13(10)20-3-4-21-14(24)11-6-12(25-23-11)8-1-2-8/h5-8H,1-4H2,(H,20,22)(H,21,24)
InChIKeyYDYUIOLWONVEBJ-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 33107396) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID33107396
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1
InChIInChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22-13(10)20-3-4-21-14(24)11-6-12(25-23-11)8-1-2-8/h5-8H,1-4H2,(H,20,22)(H,21,24)
InChIKeyYDYUIOLWONVEBJ-UHFFFAOYSA-N
XLogP3.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 33107396) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc(C2CC2)on1.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is YDYUIOLWONVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22-13(10)20-3-4-21-14(24)11-6-12(25-23-11)8-1-2-8/h5-8H,1-4H2,(H,20,22)(H,21,24).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33107396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).