3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline

C14H18N4O — CID 82020398

IUPAC3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCC1CCCCN1c1nnc(-c2cccc(N)c2)o1
InChIInChI=1S/C14H18N4O/c1-10-5-2-3-8-18(10)14-17-16-13(19-14)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8,15H2,1H3
InChIKeyVXDDOUMIJLUEHZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.70
Rot. Bonds2

About 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline

3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 82020398) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID82020398
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCC1CCCCN1c1nnc(-c2cccc(N)c2)o1
InChIInChI=1S/C14H18N4O/c1-10-5-2-3-8-18(10)14-17-16-13(19-14)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8,15H2,1H3
InChIKeyVXDDOUMIJLUEHZ-UHFFFAOYSA-N
XLogP2.70
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 28720299
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028938
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106956310
2-methoxy-5-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484538
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679692
3,5-dibromo-4-(2-methylpiperidin-1-yl)aniline
CID 91681196
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline (CID 82020398) is 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline is CC1CCCCN1c1nnc(-c2cccc(N)c2)o1.
What is the InChIKey of 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is VXDDOUMIJLUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-2-3-8-18(10)14-17-16-13(19-14)11-6-4-7-12(15)9-11/h4,6-7,9-10H,2-3,5,8,15H2,1H3.
What are the key properties of 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 258.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 82020398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).