2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one

C19H15F3N6O2 — CID 166067198

IUPAC2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one
SMILESCC1(c2nnc(-c3cccnc3Nc3ccc(C(F)(F)F)cc3)o2)CC(N)=NC1=O
InChIInChI=1S/C19H15F3N6O2/c1-18(9-13(23)26-16(18)29)17-28-27-15(30-17)12-3-2-8-24-14(12)25-11-6-4-10(5-7-11)19(20,21)22/h2-8H,9H2,1H3,(H,24,25)(H2,23,26,29)
InChIKeyXMOVHWPPMSTPSC-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.44
Rot. Bonds4

About 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one

2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one (PubChem CID 166067198) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one
PubChem CID166067198
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC Name2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one
SMILESCC1(c2nnc(-c3cccnc3Nc3ccc(C(F)(F)F)cc3)o2)CC(N)=NC1=O
InChIInChI=1S/C19H15F3N6O2/c1-18(9-13(23)26-16(18)29)17-28-27-15(30-17)12-3-2-8-24-14(12)25-11-6-4-10(5-7-11)19(20,21)22/h2-8H,9H2,1H3,(H,24,25)(H2,23,26,29)
InChIKeyXMOVHWPPMSTPSC-UHFFFAOYSA-N
XLogP3.44
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-methyloxiran-2-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 146885562
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289
N-[4-[chloro(difluoro)methoxy]phenyl]-3-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 168877171
tert-butyl N-[1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]carbamate
CID 146842182
1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]imidazolidin-2-one
CID 155211888
1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
3-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-one
CID 154206202
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
2-[5-[3-(methylamino)propyl]-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155211862
N'-hydroxy-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazole-2-carboximidamide
CID 155712987
(4S)-4-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]-1,3-oxazolidin-2-one
CID 155211851

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one?
The IUPAC name of 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one (CID 166067198) is 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one.
What is the SMILES notation for 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one?
The canonical SMILES for 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one is CC1(c2nnc(-c3cccnc3Nc3ccc(C(F)(F)F)cc3)o2)CC(N)=NC1=O.
What is the InChIKey of 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one?
The InChIKey is XMOVHWPPMSTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c1-18(9-13(23)26-16(18)29)17-28-27-15(30-17)12-3-2-8-24-14(12)25-11-6-4-10(5-7-11)19(20,21)22/h2-8H,9H2,1H3,(H,24,25)(H2,23,26,29).
What are the key properties of 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one?
2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one has a molecular weight of 416.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-[5-[2-[4-(trifluoromethyl)anilino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-3H-pyrrol-5-one is sourced from PubChem (CID 166067198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).