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

C16H22F2N4O4 — CID 173114653

IUPACN'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide
SMILESCC[C@H](NC(=O)CCC(F)(F)CCC(N)=O)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C16H22F2N4O4/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/h9-10H,2-8H2,1H3,(H2,19,23)(H,20,24)/t10-/m0/s1
InChIKeyCUWBQXFSNIRIBA-JTQLQIEISA-N
MW372.37 g/mol
LogP1.71
Rot. Bonds11

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

N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide (PubChem CID 173114653) has the molecular formula C16H22F2N4O4 and a molecular weight of 372.37 g/mol. Its IUPAC name is N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide.

Molecular Properties

Compound NameN'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide
PubChem CID173114653
Molecular FormulaC16H22F2N4O4
Molecular Weight372.37 g/mol
Exact Mass372.16
IUPAC NameN'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide
SMILESCC[C@H](NC(=O)CCC(F)(F)CCC(N)=O)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C16H22F2N4O4/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/h9-10H,2-8H2,1H3,(H2,19,23)(H,20,24)/t10-/m0/s1
InChIKeyCUWBQXFSNIRIBA-JTQLQIEISA-N
XLogP1.71
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide
CID 173114542
3-[3-(cyclopropylmethylsulfonyl)propanoylamino]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-oxobutanamide
CID 22263595
N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 11477276
3-[3-[[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-3-oxopropyl]sulfonyl-2-methylpropanamide
CID 22263572
3-cyclopropyl-N-[(2R)-2-[(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)amino]-3-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 126832909
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 155953439
3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
CID 139019188
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 140505215

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide?
The IUPAC name of N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide (CID 173114653) is N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide.
What is the SMILES notation for N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide?
The canonical SMILES for N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide is CC[C@H](NC(=O)CCC(F)(F)CCC(N)=O)C(=O)c1nc(C2CC2)no1.
What is the InChIKey of N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide?
The InChIKey is CUWBQXFSNIRIBA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22F2N4O4/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/h9-10H,2-8H2,1H3,(H2,19,23)(H,20,24)/t10-/m0/s1.
What are the key properties of N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide?
N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide has a molecular weight of 372.37 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-difluoroheptanediamide is sourced from PubChem (CID 173114653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).