N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine

C11H13ClN4O — CID 103445283

IUPACN-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C11H13ClN4O/c1-11(2,3)15-10-14-9(16-17-10)8-7(12)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,16)
InChIKeyXFOPSXHVEOXIPC-UHFFFAOYSA-N
MW252.71 g/mol
LogP3.00
Rot. Bonds2

About N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine

N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine (PubChem CID 103445283) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
PubChem CID103445283
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC NameN-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C11H13ClN4O/c1-11(2,3)15-10-14-9(16-17-10)8-7(12)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,16)
InChIKeyXFOPSXHVEOXIPC-UHFFFAOYSA-N
XLogP3.00
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 103445454
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109412
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 103445508
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine (CID 103445283) is N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine is CC(C)(C)Nc1nc(-c2ncccc2Cl)no1.
What is the InChIKey of N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is XFOPSXHVEOXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-11(2,3)15-10-14-9(16-17-10)8-7(12)5-4-6-13-8/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 252.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 103445283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).