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

C14H23N5O — CID 65198230

IUPACN-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(-c2ccn(C)n2)no1)C(C)(C)C
InChIInChI=1S/C14H23N5O/c1-6-15-11(14(2,3)4)9-12-16-13(18-20-12)10-7-8-19(5)17-10/h7-8,11,15H,6,9H2,1-5H3
InChIKeyDKECBZRZTQORGM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds5

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

N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65198230) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65198230
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(-c2ccn(C)n2)no1)C(C)(C)C
InChIInChI=1S/C14H23N5O/c1-6-15-11(14(2,3)4)9-12-16-13(18-20-12)10-7-8-19(5)17-10/h7-8,11,15H,6,9H2,1-5H3
InChIKeyDKECBZRZTQORGM-UHFFFAOYSA-N
XLogP2.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65197705
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65198178
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347420
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65198229
N-ethyl-3,3-dimethyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348436
N-ethyl-3,3-dimethyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350562
2-methyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072184
(2S)-4-methyl-2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 104916138
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347289
1-cyclopropyl-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65197811
methyl 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474846
4-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65199728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65198230) is N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(Cc1nc(-c2ccn(C)n2)no1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is DKECBZRZTQORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-6-15-11(14(2,3)4)9-12-16-13(18-20-12)10-7-8-19(5)17-10/h7-8,11,15H,6,9H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65198230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).