1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C13H19N5O — CID 106969433

IUPAC1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCNCc1nnc(Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C13H19N5O/c1-4-14-9-12-16-17-13(19-12)15-10-5-7-11(8-6-10)18(2)3/h5-8,14H,4,9H2,1-3H3,(H,15,17)
InChIKeyLDVUYPCLRQOGJF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.99
Rot. Bonds6

About 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 106969433) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID106969433
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCNCc1nnc(Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C13H19N5O/c1-4-14-9-12-16-17-13(19-12)15-10-5-7-11(8-6-10)18(2)3/h5-8,14H,4,9H2,1-3H3,(H,15,17)
InChIKeyLDVUYPCLRQOGJF-UHFFFAOYSA-N
XLogP1.99
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611
N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961822
N-(3-chloro-4-methoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966341
N-(3,5-dichloro-4-fluorophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107581548
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966692
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968069
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
N-(4-ethoxyphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966280
N-(4-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968230
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962829

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 106969433) is 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is CCNCc1nnc(Nc2ccc(N(C)C)cc2)o1.
What is the InChIKey of 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is LDVUYPCLRQOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-14-9-12-16-17-13(19-12)15-10-5-7-11(8-6-10)18(2)3/h5-8,14H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 106969433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).