N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide

C26H34F3N3O3 — CID 66643171

IUPACN-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1/oc(C(C)(C)C)cn1CC1CCC1
InChIInChI=1S/C26H34F3N3O3/c1-25(2,3)22-15-32(14-17-7-5-8-17)24(35-22)30-23(33)20-13-18(26(27,28)29)10-11-21(20)34-16-19-9-6-12-31(19)4/h10-11,13,15,17,19H,5-9,12,14,16H2,1-4H3/b30-24+/t19-/m0/s1
InChIKeyJSRRPKKNMNCFDG-RKBINYIWSA-N
MW493.57 g/mol
LogP5.41
Rot. Bonds6

About N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide

N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide (PubChem CID 66643171) has the molecular formula C26H34F3N3O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
PubChem CID66643171
Molecular FormulaC26H34F3N3O3
Molecular Weight493.57 g/mol
Exact Mass493.26
IUPAC NameN-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1/oc(C(C)(C)C)cn1CC1CCC1
InChIInChI=1S/C26H34F3N3O3/c1-25(2,3)22-15-32(14-17-7-5-8-17)24(35-22)30-23(33)20-13-18(26(27,28)29)10-11-21(20)34-16-19-9-6-12-31(19)4/h10-11,13,15,17,19H,5-9,12,14,16H2,1-4H3/b30-24+/t19-/m0/s1
InChIKeyJSRRPKKNMNCFDG-RKBINYIWSA-N
XLogP5.41
TPSA59.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide (CID 66643171) is N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide is CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1/oc(C(C)(C)C)cn1CC1CCC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is JSRRPKKNMNCFDG-RKBINYIWSA-N. The full InChI is InChI=1S/C26H34F3N3O3/c1-25(2,3)22-15-32(14-17-7-5-8-17)24(35-22)30-23(33)20-13-18(26(27,28)29)10-11-21(20)34-16-19-9-6-12-31(19)4/h10-11,13,15,17,19H,5-9,12,14,16H2,1-4H3/b30-24+/t19-/m0/s1.
What are the key properties of N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 493.57 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclobutylmethyl)-1,3-oxazol-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66643171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).