(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide

C13H14Cl2N4O2 — CID 167868136

IUPAC(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C13H14Cl2N4O2/c1-7(12(16)20)19(2)6-10-17-18-13(21-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,20)/t7-/m0/s1
InChIKeyHNNYPFCVBVNICP-ZETCQYMHSA-N
MW329.19 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide

(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide (PubChem CID 167868136) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide
PubChem CID167868136
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide
SMILESC[C@@H](C(N)=O)N(C)Cc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C13H14Cl2N4O2/c1-7(12(16)20)19(2)6-10-17-18-13(21-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,20)/t7-/m0/s1
InChIKeyHNNYPFCVBVNICP-ZETCQYMHSA-N
XLogP2.35
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide with MolForge

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Related Compounds

4-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965355
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
4-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965353
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139447
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide
CID 154740642
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
CID 71563526
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide?
The IUPAC name of (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide (CID 167868136) is (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide?
The canonical SMILES for (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide is C[C@@H](C(N)=O)N(C)Cc1nnc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide?
The InChIKey is HNNYPFCVBVNICP-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-7(12(16)20)19(2)6-10-17-18-13(21-10)11-8(14)4-3-5-9(11)15/h3-5,7H,6H2,1-2H3,(H2,16,20)/t7-/m0/s1.
What are the key properties of (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide?
(2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide has a molecular weight of 329.19 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 167868136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).