5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine

C11H12F2N4O2 — CID 106968528

IUPAC5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2ccccc2OC(F)F)o1
InChIInChI=1S/C11H12F2N4O2/c1-6(14)9-16-17-11(19-9)15-7-4-2-3-5-8(7)18-10(12)13/h2-6,10H,14H2,1H3,(H,15,17)
InChIKeyLVJQKQYZGCUMEC-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.43
Rot. Bonds5

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

5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968528) has the molecular formula C11H12F2N4O2 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968528
Molecular FormulaC11H12F2N4O2
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(Nc2ccccc2OC(F)F)o1
InChIInChI=1S/C11H12F2N4O2/c1-6(14)9-16-17-11(19-9)15-7-4-2-3-5-8(7)18-10(12)13/h2-6,10H,14H2,1H3,(H,15,17)
InChIKeyLVJQKQYZGCUMEC-UHFFFAOYSA-N
XLogP2.43
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminoethyl)-N-(3-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106969926
5-(1-aminoethyl)-N-(3-butan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106960252
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
2-N-[2-(difluoromethoxy)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753951
2-[2-(difluoromethoxy)anilino]-5-methylbenzenecarbothioamide
CID 107928513

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine (CID 106968528) is 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(Nc2ccccc2OC(F)F)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LVJQKQYZGCUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2/c1-6(14)9-16-17-11(19-9)15-7-4-2-3-5-8(7)18-10(12)13/h2-6,10H,14H2,1H3,(H,15,17).
What are the key properties of 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 270.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[2-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).