1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine

C13H17ClN4O — CID 103445454

IUPAC1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ncccc2Cl)no1)C(C)C
InChIInChI=1S/C13H17ClN4O/c1-8(2)10(15-3)7-11-17-13(18-19-11)12-9(14)5-4-6-16-12/h4-6,8,10,15H,7H2,1-3H3
InChIKeyBWTOBJCNTSRPBW-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine

1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (PubChem CID 103445454) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
PubChem CID103445454
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1nc(-c2ncccc2Cl)no1)C(C)C
InChIInChI=1S/C13H17ClN4O/c1-8(2)10(15-3)7-11-17-13(18-19-11)12-9(14)5-4-6-16-12/h4-6,8,10,15H,7H2,1-3H3
InChIKeyBWTOBJCNTSRPBW-UHFFFAOYSA-N
XLogP2.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-methylethanamine
CID 103445450
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 103445439
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103442844
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 103445464
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349824
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103445438
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (CID 103445454) is 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is CNC(Cc1nc(-c2ncccc2Cl)no1)C(C)C.
What is the InChIKey of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The InChIKey is BWTOBJCNTSRPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-8(2)10(15-3)7-11-17-13(18-19-11)12-9(14)5-4-6-16-12/h4-6,8,10,15H,7H2,1-3H3.
What are the key properties of 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine has a molecular weight of 280.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 103445454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).