4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide

C20H22F3N3O4 — CID 129216402

IUPAC4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nc(C(NC(=O)c2ccc(C3CC3)c(OCC(F)(F)F)c2)C2(C)COC2)no1
InChIInChI=1S/C20H22F3N3O4/c1-11-24-17(26-30-11)16(19(2)8-28-9-19)25-18(27)13-5-6-14(12-3-4-12)15(7-13)29-10-20(21,22)23/h5-7,12,16H,3-4,8-10H2,1-2H3,(H,25,27)
InChIKeyWYTZNWWLZCPZJJ-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.70
Rot. Bonds7

About 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide

4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 129216402) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID129216402
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nc(C(NC(=O)c2ccc(C3CC3)c(OCC(F)(F)F)c2)C2(C)COC2)no1
InChIInChI=1S/C20H22F3N3O4/c1-11-24-17(26-30-11)16(19(2)8-28-9-19)25-18(27)13-5-6-14(12-3-4-12)15(7-13)29-10-20(21,22)23/h5-7,12,16H,3-4,8-10H2,1-2H3,(H,25,27)
InChIKeyWYTZNWWLZCPZJJ-UHFFFAOYSA-N
XLogP3.70
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
CID 129216377
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 129216330
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 138753077
5-tert-butyl-3-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 129216482
4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
CID 129216412
(2S)-N-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129216363
5-cyclopropyl-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine;N-[1-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]formamide
CID 144638470
1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129238775
1-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-4-(3,3-difluoroazetidin-1-yl)-3-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 146793385
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149
(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
CID 161363088

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 129216402) is 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide is Cc1nc(C(NC(=O)c2ccc(C3CC3)c(OCC(F)(F)F)c2)C2(C)COC2)no1.
What is the InChIKey of 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is WYTZNWWLZCPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-11-24-17(26-30-11)16(19(2)8-28-9-19)25-18(27)13-5-6-14(12-3-4-12)15(7-13)29-10-20(21,22)23/h5-7,12,16H,3-4,8-10H2,1-2H3,(H,25,27).
What are the key properties of 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 425.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-(3-methyloxetan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 129216402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).