(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride

C20H21Cl2N3O2 — CID 154895539

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H](N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H20ClN3O2.ClH/c1-24(20(25)18(22)11-14-7-9-16(21)10-8-14)13-17-12-19(23-26-17)15-5-3-2-4-6-15;/h2-10,12,18H,11,13,22H2,1H3;1H/t18-;/m1./s1
InChIKeyANVGWCCOZUOPCO-GMUIIQOCSA-N
MW406.31 g/mol
LogP3.95
Rot. Bonds6

About (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride (PubChem CID 154895539) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
PubChem CID154895539
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H](N)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H20ClN3O2.ClH/c1-24(20(25)18(22)11-14-7-9-16(21)10-8-14)13-17-12-19(23-26-17)15-5-3-2-4-6-15;/h2-10,12,18H,11,13,22H2,1H3;1H/t18-;/m1./s1
InChIKeyANVGWCCOZUOPCO-GMUIIQOCSA-N
XLogP3.95
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride 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 (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride (CID 154895539) is (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride is CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H](N)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride?
The InChIKey is ANVGWCCOZUOPCO-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H20ClN3O2.ClH/c1-24(20(25)18(22)11-14-7-9-16(21)10-8-14)13-17-12-19(23-26-17)15-5-3-2-4-6-15;/h2-10,12,18H,11,13,22H2,1H3;1H/t18-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride?
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride has a molecular weight of 406.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 154895539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).