3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide

C20H19F2N5O3 — CID 167883337

IUPAC3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C20H19F2N5O3/c1-2-9-24-14-8-7-13(17(23)28)10-15(14)25-19(29)12-5-3-11(4-6-12)18-26-20(16(21)22)30-27-18/h3-8,10,16,24H,2,9H2,1H3,(H2,23,28)(H,25,29)
InChIKeyYKSGNKDSHXOYSJ-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.85
Rot. Bonds8

About 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide

3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide (PubChem CID 167883337) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide
PubChem CID167883337
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C20H19F2N5O3/c1-2-9-24-14-8-7-13(17(23)28)10-15(14)25-19(29)12-5-3-11(4-6-12)18-26-20(16(21)22)30-27-18/h3-8,10,16,24H,2,9H2,1H3,(H2,23,28)(H,25,29)
InChIKeyYKSGNKDSHXOYSJ-UHFFFAOYSA-N
XLogP3.85
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 167838886
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 124881869
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 166233213
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
CID 167868127
4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
CID 155966963
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 119061316
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 119037365
4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
CID 166335317
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide?
The IUPAC name of 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide (CID 167883337) is 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide.
What is the SMILES notation for 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide?
The canonical SMILES for 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide is CCCNc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1.
What is the InChIKey of 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide?
The InChIKey is YKSGNKDSHXOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c1-2-9-24-14-8-7-13(17(23)28)10-15(14)25-19(29)12-5-3-11(4-6-12)18-26-20(16(21)22)30-27-18/h3-8,10,16,24H,2,9H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide?
3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide has a molecular weight of 415.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]-4-(propylamino)benzamide is sourced from PubChem (CID 167883337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).