5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine

C12H16N4O — CID 106967692

IUPAC5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(C)c2ccccc2)o1
InChIInChI=1S/C12H16N4O/c1-3-13-9-11-14-15-12(17-11)16(2)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3
InChIKeyYJMRIVPKRZDHEP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.95
Rot. Bonds5

About 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 106967692) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID106967692
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(N(C)c2ccccc2)o1
InChIInChI=1S/C12H16N4O/c1-3-13-9-11-14-15-12(17-11)16(2)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3
InChIKeyYJMRIVPKRZDHEP-UHFFFAOYSA-N
XLogP1.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-(ethylaminomethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106962273
N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967964
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971055
N-methyl-N-(2-methylphenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970880
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971305
1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106969433
N-[[5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138293
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine (CID 106967692) is 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine is CCNCc1nnc(N(C)c2ccccc2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YJMRIVPKRZDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-13-9-11-14-15-12(17-11)16(2)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).