N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C16H24N4O — CID 114878947

IUPACN-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(-c2cnccc2C)no1)C(C)C
InChIInChI=1S/C16H24N4O/c1-6-18-12(5)14(10(2)3)16-19-15(20-21-16)13-9-17-8-7-11(13)4/h7-10,12,14,18H,6H2,1-5H3
InChIKeyPJEYBHUWNHTLIN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.18
Rot. Bonds6

About N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 114878947) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID114878947
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(-c2cnccc2C)no1)C(C)C
InChIInChI=1S/C16H24N4O/c1-6-18-12(5)14(10(2)3)16-19-15(20-21-16)13-9-17-8-7-11(13)4/h7-10,12,14,18H,6H2,1-5H3
InChIKeyPJEYBHUWNHTLIN-UHFFFAOYSA-N
XLogP3.18
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395
N-ethyl-4-methyl-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350874
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114878919
N-[2-methyl-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 45235273
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114876663
1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 114876517
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 114877008
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114877100
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352199
4-methyl-N-propyl-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 137001659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 114878947) is N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(c1nc(-c2cnccc2C)no1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is PJEYBHUWNHTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-18-12(5)14(10(2)3)16-19-15(20-21-16)13-9-17-8-7-11(13)4/h7-10,12,14,18H,6H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 114878947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).