N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C16H15F3N4O3 — CID 45491157

IUPACN-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)10-2-1-3-11(6-10)21-13(24)7-12-22-15(26-23-12)14(25)20-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,20,25)(H,21,24)
InChIKeyHXEYHIGQOBBJFG-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.41
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide

N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45491157) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID45491157
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)10-2-1-3-11(6-10)21-13(24)7-12-22-15(26-23-12)14(25)20-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,20,25)(H,21,24)
InChIKeyHXEYHIGQOBBJFG-UHFFFAOYSA-N
XLogP2.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 45491157) is N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(Cc1noc(C(=O)NCC2CC2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HXEYHIGQOBBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)10-2-1-3-11(6-10)21-13(24)7-12-22-15(26-23-12)14(25)20-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,20,25)(H,21,24).
What are the key properties of N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45491157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).