2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide

C22H21F2N3O2 — CID 99808617

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide
SMILESCC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n1
InChIInChI=1S/C22H21F2N3O2/c1-22(2,3)21-26-20(29-27-21)13-8-5-4-7-12(13)19(28)25-17-11-14(17)18-15(23)9-6-10-16(18)24/h4-10,14,17H,11H2,1-3H3,(H,25,28)/t14-,17+/m1/s1
InChIKeyFIJOJDKKZICKQI-PBHICJAKSA-N
MW397.43 g/mol
LogP4.60
Rot. Bonds4

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide (PubChem CID 99808617) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide
PubChem CID99808617
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide
SMILESCC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n1
InChIInChI=1S/C22H21F2N3O2/c1-22(2,3)21-26-20(29-27-21)13-8-5-4-7-12(13)19(28)25-17-11-14(17)18-15(23)9-6-10-16(18)24/h4-10,14,17H,11H2,1-3H3,(H,25,28)/t14-,17+/m1/s1
InChIKeyFIJOJDKKZICKQI-PBHICJAKSA-N
XLogP4.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119605262
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
(2R)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]propanoic acid
CID 119244546
N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119499680
N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56800922
(2S)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]hexanoic acid
CID 120614642
4-[[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541919
N-[2-(aminomethyl)cyclopentyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;hydrochloride
CID 119603440
3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
CID 71986245
1-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119791
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517876
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308053

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide (CID 99808617) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide is CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide?
The InChIKey is FIJOJDKKZICKQI-PBHICJAKSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-22(2,3)21-26-20(29-27-21)13-8-5-4-7-12(13)19(28)25-17-11-14(17)18-15(23)9-6-10-16(18)24/h4-10,14,17H,11H2,1-3H3,(H,25,28)/t14-,17+/m1/s1.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide has a molecular weight of 397.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]benzamide is sourced from PubChem (CID 99808617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).