N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H26N4O2 — CID 47080751

IUPACN-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C22H26N4O2/c1-16(15-22(2,3)18-7-5-4-6-8-18)24-19(27)9-10-20-25-21(26-28-20)17-11-13-23-14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,24,27)
InChIKeyNXZKVKUNTKRQNP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.94
Rot. Bonds8

About N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 47080751) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID47080751
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C22H26N4O2/c1-16(15-22(2,3)18-7-5-4-6-8-18)24-19(27)9-10-20-25-21(26-28-20)17-11-13-23-14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,24,27)
InChIKeyNXZKVKUNTKRQNP-UHFFFAOYSA-N
XLogP3.94
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 94812591
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119598258
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119357384

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 47080751) is N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NXZKVKUNTKRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(15-22(2,3)18-7-5-4-6-8-18)24-19(27)9-10-20-25-21(26-28-20)17-11-13-23-14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,24,27).
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 47080751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).