2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide

C21H20F3N5O2 — CID 118308053

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C21H20F3N5O2/c1-12-26-20(31-29-12)15-6-3-2-5-14(15)19(30)28-17-8-4-7-16(17)27-18-10-9-13(11-25-18)21(22,23)24/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,27)(H,28,30)/t16-,17-/m0/s1
InChIKeyKJOWYOKMZWQTHQ-IRXDYDNUSA-N
MW431.42 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (PubChem CID 118308053) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
PubChem CID118308053
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C21H20F3N5O2/c1-12-26-20(31-29-12)15-6-3-2-5-14(15)19(30)28-17-8-4-7-16(17)27-18-10-9-13(11-25-18)21(22,23)24/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,27)(H,28,30)/t16-,17-/m0/s1
InChIKeyKJOWYOKMZWQTHQ-IRXDYDNUSA-N
XLogP4.22
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (CID 118308053) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2Nc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The InChIKey is KJOWYOKMZWQTHQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12-26-20(31-29-12)15-6-3-2-5-14(15)19(30)28-17-8-4-7-16(17)27-18-10-9-13(11-25-18)21(22,23)24/h2-3,5-6,9-11,16-17H,4,7-8H2,1H3,(H,25,27)(H,28,30)/t16-,17-/m0/s1.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide has a molecular weight of 431.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).