5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

C11H14N4O — CID 106967977

IUPAC5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(C(C)N)o2)c1
InChIInChI=1S/C11H14N4O/c1-7-4-3-5-9(6-7)13-11-15-14-10(16-11)8(2)12/h3-6,8H,12H2,1-2H3,(H,13,15)
InChIKeySGOYZANWOUGYLM-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds3

About 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967977) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967977
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(C(C)N)o2)c1
InChIInChI=1S/C11H14N4O/c1-7-4-3-5-9(6-7)13-11-15-14-10(16-11)8(2)12/h3-6,8H,12H2,1-2H3,(H,13,15)
InChIKeySGOYZANWOUGYLM-UHFFFAOYSA-N
XLogP2.14
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252
5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106969926
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106967337
4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966865
1-N-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 106960890
2-[4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]ethanol
CID 106969771
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968322
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963509

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106967977) is 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cccc(Nc2nnc(C(C)N)o2)c1.
What is the InChIKey of 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SGOYZANWOUGYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-4-3-5-9(6-7)13-11-15-14-10(16-11)8(2)12/h3-6,8H,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).