N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H25N5O2 — CID 119598258

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H25N5O2/c1-12(2)10-17(3,11-18)21-14(23)4-5-15-20-16(22-24-15)13-6-8-19-9-7-13/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,21,23)
InChIKeyVZMRSEXLPPBBBQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.94
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 119598258) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID119598258
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H25N5O2/c1-12(2)10-17(3,11-18)21-14(23)4-5-15-20-16(22-24-15)13-6-8-19-9-7-13/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,21,23)
InChIKeyVZMRSEXLPPBBBQ-UHFFFAOYSA-N
XLogP1.94
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119598322
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119573306
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide;hydrochloride
CID 119599132
4-methyl-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119357384
(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-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119608419
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47080751
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 119598258) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)CC(C)(CN)NC(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VZMRSEXLPPBBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)10-17(3,11-18)21-14(23)4-5-15-20-16(22-24-15)13-6-8-19-9-7-13/h6-9,12H,4-5,10-11,18H2,1-3H3,(H,21,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 119598258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).