N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H19F3N4O4 — CID 164881567

IUPACN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCOC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H19F3N4O4/c1-31-12-16(19(30)25-11-13-5-3-2-4-6-13)26-18(29)15-9-7-14(8-10-15)17-27-20(32-28-17)21(22,23)24/h2-10,16H,11-12H2,1H3,(H,25,30)(H,26,29)/t16-/m1/s1
InChIKeyCWJXHDIASXAVLQ-MRXNPFEDSA-N
MW448.40 g/mol
LogP2.82
Rot. Bonds8

About N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881567) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881567
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC NameN-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCOC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H19F3N4O4/c1-31-12-16(19(30)25-11-13-5-3-2-4-6-13)26-18(29)15-9-7-14(8-10-15)17-27-20(32-28-17)21(22,23)24/h2-10,16H,11-12H2,1H3,(H,25,30)(H,26,29)/t16-/m1/s1
InChIKeyCWJXHDIASXAVLQ-MRXNPFEDSA-N
XLogP2.82
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]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-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881567) is N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is COC[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is CWJXHDIASXAVLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c1-31-12-16(19(30)25-11-13-5-3-2-4-6-13)26-18(29)15-9-7-14(8-10-15)17-27-20(32-28-17)21(22,23)24/h2-10,16H,11-12H2,1H3,(H,25,30)(H,26,29)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 448.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).