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

C11H13FN4O — CID 106969926

IUPAC5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1c(F)cccc1Nc1nnc(C(C)N)o1
InChIInChI=1S/C11H13FN4O/c1-6-8(12)4-3-5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyZQMWPIQPHUGASY-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.28
Rot. Bonds3

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

5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969926) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969926
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1c(F)cccc1Nc1nnc(C(C)N)o1
InChIInChI=1S/C11H13FN4O/c1-6-8(12)4-3-5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyZQMWPIQPHUGASY-UHFFFAOYSA-N
XLogP2.28
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-chloroethyl)-N-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106956850
5-(1-aminoethyl)-N-(2-bromo-3-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106967337
5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 106968528
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
5-(1-chloroethyl)-N-(3-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106958965
N-(2,3-dimethylphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967995
2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
5-(1-aminoethyl)-N-(4-bromo-2,3-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 107795977
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106969926) is 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1c(F)cccc1Nc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZQMWPIQPHUGASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6-8(12)4-3-5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 236.25 g/mol, XLogP of 2.28, 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-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).