5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine

C13H24N4O — CID 97139412

IUPAC5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCN1CCC[C@@H]1CCNc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H24N4O/c1-13(2,3)11-15-16-12(18-11)14-8-7-10-6-5-9-17(10)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyLXWNSAIZFVDULC-SNVBAGLBSA-N
MW252.36 g/mol
LogP2.26
Rot. Bonds4

About 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97139412) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID97139412
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCN1CCC[C@@H]1CCNc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H24N4O/c1-13(2,3)11-15-16-12(18-11)14-8-7-10-6-5-9-17(10)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyLXWNSAIZFVDULC-SNVBAGLBSA-N
XLogP2.26
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(trichloromethyl)pyrimidin-2-amine
CID 558432
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
4-tert-butyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 59344869
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
N-(benzotriazol-2-ylmethyl)-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 68668824
4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 56919082
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine (CID 97139412) is 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine is CN1CCC[C@@H]1CCNc1nnc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LXWNSAIZFVDULC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)11-15-16-12(18-11)14-8-7-10-6-5-9-17(10)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97139412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).