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

C14H20N4O — CID 63350786

IUPACN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(-c2ncccc2C)no1
InChIInChI=1S/C14H20N4O/c1-4-15-11(3)7-8-12-17-14(18-19-12)13-10(2)6-5-9-16-13/h5-6,9,11,15H,4,7-8H2,1-3H3
InChIKeyRACMAOZWZMICPB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds6

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

N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350786) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350786
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)CCc1nc(-c2ncccc2C)no1
InChIInChI=1S/C14H20N4O/c1-4-15-11(3)7-8-12-17-14(18-19-12)13-10(2)6-5-9-16-13/h5-6,9,11,15H,4,7-8H2,1-3H3
InChIKeyRACMAOZWZMICPB-UHFFFAOYSA-N
XLogP2.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350562
N-ethyl-4-methyl-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350874
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349824
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63345340
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352372
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313
N-ethyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55200693
2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106524273
1,1-difluoro-3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349199
1-[[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845555
5-(azetidin-3-ylmethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 64611874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350786) is N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(C)CCc1nc(-c2ncccc2C)no1.
What is the InChIKey of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is RACMAOZWZMICPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-15-11(3)7-8-12-17-14(18-19-12)13-10(2)6-5-9-16-13/h5-6,9,11,15H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).