N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide

C19H17F3N4O2 — CID 155211847

IUPACN-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H17F3N4O2/c1-11(2)23-16(27)18-26-25-17(28-18)14-5-3-4-6-15(14)24-13-9-7-12(8-10-13)19(20,21)22/h3-11,24H,1-2H3,(H,23,27)
InChIKeyZXBALDSEXNNEQV-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.64
Rot. Bonds5

About N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide

N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 155211847) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID155211847
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C19H17F3N4O2/c1-11(2)23-16(27)18-26-25-17(28-18)14-5-3-4-6-15(14)24-13-9-7-12(8-10-13)19(20,21)22/h3-11,24H,1-2H3,(H,23,27)
InChIKeyZXBALDSEXNNEQV-UHFFFAOYSA-N
XLogP4.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 155211847) is N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)NC(=O)c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZXBALDSEXNNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11(2)23-16(27)18-26-25-17(28-18)14-5-3-4-6-15(14)24-13-9-7-12(8-10-13)19(20,21)22/h3-11,24H,1-2H3,(H,23,27).
What are the key properties of N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide?
N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 155211847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).