N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline

C12H15N3O — CID 43670382

IUPACN-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCCc1noc(-c2ccccc2NC)n1
InChIInChI=1S/C12H15N3O/c1-3-6-11-14-12(16-15-11)9-7-4-5-8-10(9)13-2/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyZYOBXPLOENJIRB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.73
Rot. Bonds4

About N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline

N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 43670382) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID43670382
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCCCc1noc(-c2ccccc2NC)n1
InChIInChI=1S/C12H15N3O/c1-3-6-11-14-12(16-15-11)9-7-4-5-8-10(9)13-2/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyZYOBXPLOENJIRB-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790321
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
CID 135981687
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 116702939
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline (CID 43670382) is N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline is CCCc1noc(-c2ccccc2NC)n1.
What is the InChIKey of N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is ZYOBXPLOENJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-6-11-14-12(16-15-11)9-7-4-5-8-10(9)13-2/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline?
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 217.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 43670382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).