5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine

C11H14N4O — CID 67968193

IUPAC5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1NCCc1nnc(N)o1
InChIInChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)13-7-6-10-14-15-11(12)16-10/h2-5,13H,6-7H2,1H3,(H2,12,15)
InChIKeyOXHIMSDQMCMRCD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.61
Rot. Bonds4

About 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine

5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 67968193) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID67968193
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1NCCc1nnc(N)o1
InChIInChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)13-7-6-10-14-15-11(12)16-10/h2-5,13H,6-7H2,1H3,(H2,12,15)
InChIKeyOXHIMSDQMCMRCD-UHFFFAOYSA-N
XLogP1.61
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 131963674
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827059
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
CID 81433660
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271503
5-[2-[(5-nitroquinolin-8-yl)amino]ethyl]-1,3,4-oxadiazol-2-amine
CID 86804798
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine (CID 67968193) is 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1NCCc1nnc(N)o1.
What is the InChIKey of 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OXHIMSDQMCMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)13-7-6-10-14-15-11(12)16-10/h2-5,13H,6-7H2,1H3,(H2,12,15).
What are the key properties of 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine?
5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 67968193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).