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

C16H24F2N4O4 — CID 173114597

IUPACN'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide
SMILESCCC(NC(=O)CCC(F)(F)CCC(N)=O)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C16H24F2N4O4/c1-2-10(13(25)15-21-14(22-26-15)9-3-4-9)20-12(24)6-8-16(17,18)7-5-11(19)23/h9-10,13,25H,2-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRQCBEBAMBPCHQN-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.56
Rot. Bonds11

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

N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide (PubChem CID 173114597) has the molecular formula C16H24F2N4O4 and a molecular weight of 374.39 g/mol. Its IUPAC name is N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide.

Molecular Properties

Compound NameN'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide
PubChem CID173114597
Molecular FormulaC16H24F2N4O4
Molecular Weight374.39 g/mol
Exact Mass374.18
IUPAC NameN'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide
SMILESCCC(NC(=O)CCC(F)(F)CCC(N)=O)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C16H24F2N4O4/c1-2-10(13(25)15-21-14(22-26-15)9-3-4-9)20-12(24)6-8-16(17,18)7-5-11(19)23/h9-10,13,25H,2-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRQCBEBAMBPCHQN-UHFFFAOYSA-N
XLogP1.56
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide?
The IUPAC name of N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide (CID 173114597) is N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide.
What is the SMILES notation for N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide?
The canonical SMILES for N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide is CCC(NC(=O)CCC(F)(F)CCC(N)=O)C(O)c1nc(C2CC2)no1.
What is the InChIKey of N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide?
The InChIKey is RQCBEBAMBPCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O4/c1-2-10(13(25)15-21-14(22-26-15)9-3-4-9)20-12(24)6-8-16(17,18)7-5-11(19)23/h9-10,13,25H,2-8H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide?
N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide has a molecular weight of 374.39 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-4,4-difluoroheptanediamide is sourced from PubChem (CID 173114597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).