2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide

C16H26F2N4O3 — CID 68821637

IUPAC2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide
SMILESCCCC(F)(F)CC(N)C(=O)NC(CC)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C16H26F2N4O3/c1-3-7-16(17,18)8-10(19)14(24)20-11(4-2)12(23)15-21-13(22-25-15)9-5-6-9/h9-12,23H,3-8,19H2,1-2H3,(H,20,24)
InChIKeyVSAOACYYKVDYJG-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.03
Rot. Bonds10

About 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide

2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide (PubChem CID 68821637) has the molecular formula C16H26F2N4O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide
PubChem CID68821637
Molecular FormulaC16H26F2N4O3
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC Name2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide
SMILESCCCC(F)(F)CC(N)C(=O)NC(CC)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C16H26F2N4O3/c1-3-7-16(17,18)8-10(19)14(24)20-11(4-2)12(23)15-21-13(22-25-15)9-5-6-9/h9-12,23H,3-8,19H2,1-2H3,(H,20,24)
InChIKeyVSAOACYYKVDYJG-UHFFFAOYSA-N
XLogP2.03
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide?
The IUPAC name of 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide (CID 68821637) is 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide.
What is the SMILES notation for 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide?
The canonical SMILES for 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide is CCCC(F)(F)CC(N)C(=O)NC(CC)C(O)c1nc(C2CC2)no1.
What is the InChIKey of 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide?
The InChIKey is VSAOACYYKVDYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O3/c1-3-7-16(17,18)8-10(19)14(24)20-11(4-2)12(23)15-21-13(22-25-15)9-5-6-9/h9-12,23H,3-8,19H2,1-2H3,(H,20,24).
What are the key properties of 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide?
2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide has a molecular weight of 360.41 g/mol, XLogP of 2.03, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanamide is sourced from PubChem (CID 68821637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).