5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C11H13ClN4O — CID 110456355

IUPAC5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCc2ccccc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-7(13)10-15-16-11(17-10)14-6-8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyUXOMXMGLUPECPK-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.35
Rot. Bonds4

About 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 110456355) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID110456355
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCc2ccccc2Cl)o1
InChIInChI=1S/C11H13ClN4O/c1-7(13)10-15-16-11(17-10)14-6-8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyUXOMXMGLUPECPK-UHFFFAOYSA-N
XLogP2.35
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106960297
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106969317
1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
CID 84649192
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142
5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964860
2-N-[(2-chlorophenyl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79890765
N-[(2-chlorophenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43178081

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 110456355) is 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NCc2ccccc2Cl)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UXOMXMGLUPECPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7(13)10-15-16-11(17-10)14-6-8-4-2-3-5-9(8)12/h2-5,7H,6,13H2,1H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.71 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).