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

C12H19N5O — CID 113308674

IUPAC2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C12H19N5O/c1-4-12(5-2,8-13)11-15-10(16-18-11)9-6-14-17(3)7-9/h6-7H,4-5,8,13H2,1-3H3
InChIKeyVIZFLQRKIAYOGT-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.49
Rot. Bonds5

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

2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 113308674) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID113308674
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C12H19N5O/c1-4-12(5-2,8-13)11-15-10(16-18-11)9-6-14-17(3)7-9/h6-7H,4-5,8,13H2,1-3H3
InChIKeyVIZFLQRKIAYOGT-UHFFFAOYSA-N
XLogP1.49
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430523
2-ethyl-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430648
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430625
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65196396
2-ethyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430528
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341
2-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430644
2-ethyl-2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430636
[1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311262
4-methyl-3-[2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196345

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 113308674) is 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC(CC)(CN)c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is VIZFLQRKIAYOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-12(5-2,8-13)11-15-10(16-18-11)9-6-14-17(3)7-9/h6-7H,4-5,8,13H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 113308674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).