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

C16H24N4O — CID 63350562

IUPACN-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(-c2ncccc2C)no1)C(C)(C)C
InChIInChI=1S/C16H24N4O/c1-6-17-12(16(3,4)5)10-13-19-15(20-21-13)14-11(2)8-7-9-18-14/h7-9,12,17H,6,10H2,1-5H3
InChIKeyIEORGRWIVUHHCS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.01
Rot. Bonds5

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

N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350562) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350562
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(-c2ncccc2C)no1)C(C)(C)C
InChIInChI=1S/C16H24N4O/c1-6-17-12(16(3,4)5)10-13-19-15(20-21-13)14-11(2)8-7-9-18-14/h7-9,12,17H,6,10H2,1-5H3
InChIKeyIEORGRWIVUHHCS-UHFFFAOYSA-N
XLogP3.01
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350562) is N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(Cc1nc(-c2ncccc2C)no1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is IEORGRWIVUHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-17-12(16(3,4)5)10-13-19-15(20-21-13)14-11(2)8-7-9-18-14/h7-9,12,17H,6,10H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).