1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine

C14H17F2N3O2 — CID 61324636

IUPAC1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H17F2N3O2/c1-14(2,3)10(17)11-18-12(21-19-11)8-6-4-5-7-9(8)20-13(15)16/h4-7,10,13H,17H2,1-3H3
InChIKeyNFXUCJPRBCUYFV-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.38
Rot. Bonds4

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

1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61324636) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
PubChem CID61324636
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1noc(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C14H17F2N3O2/c1-14(2,3)10(17)11-18-12(21-19-11)8-6-4-5-7-9(8)20-13(15)16/h4-7,10,13H,17H2,1-3H3
InChIKeyNFXUCJPRBCUYFV-UHFFFAOYSA-N
XLogP3.38
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107983727
1-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61325448
2,2-dimethyl-1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 103121808
2,2-dimethyl-1-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326280
1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 66472670
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325221
1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81125130
5-[2-(difluoromethoxy)phenyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317222
N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81105813

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine (CID 61324636) is 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1noc(-c2ccccc2OC(F)F)n1.
What is the InChIKey of 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is NFXUCJPRBCUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-14(2,3)10(17)11-18-12(21-19-11)8-6-4-5-7-9(8)20-13(15)16/h4-7,10,13H,17H2,1-3H3.
What are the key properties of 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine?
1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 297.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61324636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).