(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide

C15H20N4O2 — CID 61155830

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C15H20N4O2/c1-4-9(2)13(16)14(20)17-12-8-6-5-7-11(12)15-19-18-10(3)21-15/h5-9,13H,4,16H2,1-3H3,(H,17,20)/t9-,13-/m0/s1
InChIKeyVPTGSROYWAELSR-ZANVPECISA-N
MW288.35 g/mol
LogP2.36
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide (PubChem CID 61155830) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
PubChem CID61155830
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccccc1-c1nnc(C)o1
InChIInChI=1S/C15H20N4O2/c1-4-9(2)13(16)14(20)17-12-8-6-5-7-11(12)15-19-18-10(3)21-15/h5-9,13H,4,16H2,1-3H3,(H,17,20)/t9-,13-/m0/s1
InChIKeyVPTGSROYWAELSR-ZANVPECISA-N
XLogP2.36
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 60852236
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
N-(2-methylbutyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 43675457
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide (CID 61155830) is (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1-c1nnc(C)o1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide?
The InChIKey is VPTGSROYWAELSR-ZANVPECISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-9(2)13(16)14(20)17-12-8-6-5-7-11(12)15-19-18-10(3)21-15/h5-9,13H,4,16H2,1-3H3,(H,17,20)/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide has a molecular weight of 288.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 61155830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).