(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide

C17H22N4O4 — CID 95128201

IUPAC(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
SMILESCNC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C17H22N4O4/c1-11(2)9-13(15(23)18-3)19-14(22)10-21-17(24)25-16(20-21)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyNMHZIVPHFVMQRP-CYBMUJFWSA-N
MW346.39 g/mol
LogP0.78
Rot. Bonds7

About (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide

(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide (PubChem CID 95128201) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
PubChem CID95128201
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
SMILESCNC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C17H22N4O4/c1-11(2)9-13(15(23)18-3)19-14(22)10-21-17(24)25-16(20-21)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyNMHZIVPHFVMQRP-CYBMUJFWSA-N
XLogP0.78
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide with MolForge

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Related Compounds

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 40718358
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8971164
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46420592
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835702
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721630
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8971304
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 30261779
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835962

Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide?
The IUPAC name of (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide (CID 95128201) is (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide.
What is the SMILES notation for (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide?
The canonical SMILES for (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide is CNC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccccc2)oc1=O.
What is the InChIKey of (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide?
The InChIKey is NMHZIVPHFVMQRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11(2)9-13(15(23)18-3)19-14(22)10-21-17(24)25-16(20-21)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,23)(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide?
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide has a molecular weight of 346.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide is sourced from PubChem (CID 95128201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).