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

C18H24N4O3 — CID 94172403

IUPAC(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
SMILESCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-14(17(24)19-3)20-15(23)9-10-16-21-22-18(25-16)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,19,24)(H,20,23)/t14-/m1/s1
InChIKeyBBUKNYVYAOHVHW-CQSZACIVSA-N
MW344.42 g/mol
LogP1.95
Rot. Bonds8

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

(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide (PubChem CID 94172403) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
PubChem CID94172403
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
SMILESCNC(=O)[C@@H](CC(C)C)NC(=O)CCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H24N4O3/c1-12(2)11-14(17(24)19-3)20-15(23)9-10-16-21-22-18(25-16)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,19,24)(H,20,23)/t14-/m1/s1
InChIKeyBBUKNYVYAOHVHW-CQSZACIVSA-N
XLogP1.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201

Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide?
The IUPAC name of (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide (CID 94172403) is (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide.
What is the SMILES notation for (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide?
The canonical SMILES for (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide is CNC(=O)[C@@H](CC(C)C)NC(=O)CCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide?
The InChIKey is BBUKNYVYAOHVHW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)11-14(17(24)19-3)20-15(23)9-10-16-21-22-18(25-16)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,19,24)(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide?
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide has a molecular weight of 344.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide is sourced from PubChem (CID 94172403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).