N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C15H22N6O2 — CID 119570648

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C15H22N6O2/c1-3-15(4-2,10-16)20-11(22)6-7-12-19-14(21-23-12)13-17-8-5-9-18-13/h5,8-9H,3-4,6-7,10,16H2,1-2H3,(H,20,22)
InChIKeyMDESUQZRUPFMCK-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.09
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 119570648) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID119570648
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C15H22N6O2/c1-3-15(4-2,10-16)20-11(22)6-7-12-19-14(21-23-12)13-17-8-5-9-18-13/h5,8-9H,3-4,6-7,10,16H2,1-2H3,(H,20,22)
InChIKeyMDESUQZRUPFMCK-UHFFFAOYSA-N
XLogP1.09
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119191937
N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119571905
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
(2S)-4-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119361509
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
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-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119598258
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 119570648) is N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCC(CC)(CN)NC(=O)CCc1nc(-c2ncccn2)no1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MDESUQZRUPFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-15(4-2,10-16)20-11(22)6-7-12-19-14(21-23-12)13-17-8-5-9-18-13/h5,8-9H,3-4,6-7,10,16H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 119570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).