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

C14H20F2N4O4 — CID 173114641

IUPACN'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide
SMILESCC[C@H](NC(=O)CCC(F)(F)C(N)=O)[C@H](O)c1nc(C2CC2)no1
InChIInChI=1S/C14H20F2N4O4/c1-2-8(18-9(21)5-6-14(15,16)13(17)23)10(22)12-19-11(20-24-12)7-3-4-7/h7-8,10,22H,2-6H2,1H3,(H2,17,23)(H,18,21)/t8-,10-/m0/s1
InChIKeySKJULNFMSVJDNG-WPRPVWTQSA-N
MW346.33 g/mol
LogP0.78
Rot. Bonds9

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

N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide (PubChem CID 173114641) has the molecular formula C14H20F2N4O4 and a molecular weight of 346.33 g/mol. Its IUPAC name is N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide.

Molecular Properties

Compound NameN'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide
PubChem CID173114641
Molecular FormulaC14H20F2N4O4
Molecular Weight346.33 g/mol
Exact Mass346.15
IUPAC NameN'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide
SMILESCC[C@H](NC(=O)CCC(F)(F)C(N)=O)[C@H](O)c1nc(C2CC2)no1
InChIInChI=1S/C14H20F2N4O4/c1-2-8(18-9(21)5-6-14(15,16)13(17)23)10(22)12-19-11(20-24-12)7-3-4-7/h7-8,10,22H,2-6H2,1H3,(H2,17,23)(H,18,21)/t8-,10-/m0/s1
InChIKeySKJULNFMSVJDNG-WPRPVWTQSA-N
XLogP0.78
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide?
The IUPAC name of N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide (CID 173114641) is N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide.
What is the SMILES notation for N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide?
The canonical SMILES for N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide is CC[C@H](NC(=O)CCC(F)(F)C(N)=O)[C@H](O)c1nc(C2CC2)no1.
What is the InChIKey of N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide?
The InChIKey is SKJULNFMSVJDNG-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H20F2N4O4/c1-2-8(18-9(21)5-6-14(15,16)13(17)23)10(22)12-19-11(20-24-12)7-3-4-7/h7-8,10,22H,2-6H2,1H3,(H2,17,23)(H,18,21)/t8-,10-/m0/s1.
What are the key properties of N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide?
N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide has a molecular weight of 346.33 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]-2,2-difluoropentanediamide is sourced from PubChem (CID 173114641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).