N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide

C19H20N4O2 — CID 54318633

IUPACN-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN[C@H](Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C19H20N4O2/c1-20-16(12-14-8-4-2-5-9-14)19-22-17(23-25-19)18(24)21-13-15-10-6-3-7-11-15/h2-11,16,20H,12-13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeySQALMAXRTLXJQU-MRXNPFEDSA-N
MW336.40 g/mol
LogP2.50
Rot. Bonds7

About N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide

N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 54318633) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID54318633
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN[C@H](Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C19H20N4O2/c1-20-16(12-14-8-4-2-5-9-14)19-22-17(23-25-19)18(24)21-13-15-10-6-3-7-11-15/h2-11,16,20H,12-13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeySQALMAXRTLXJQU-MRXNPFEDSA-N
XLogP2.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide
CID 57001231
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791120
5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 75463986
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]furan-2-carboxamide
CID 120868514
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
(3R)-3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;tert-butyl (3R)-3-[3-(benzylcarbamoyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
CID 159682966
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
5-[1-[[(2R)-2-[[(E)-4-aminopent-2-enoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-2-phenylethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 143138981
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide (CID 54318633) is N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide is CN[C@H](Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SQALMAXRTLXJQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-20-16(12-14-8-4-2-5-9-14)19-22-17(23-25-19)18(24)21-13-15-10-6-3-7-11-15/h2-11,16,20H,12-13H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide?
N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 54318633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).