N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide

C17H16N4O2S — CID 96534587

IUPACN-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESN#C[C@]1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCSC1
InChIInChI=1S/C17H16N4O2S/c18-9-17(7-8-24-10-17)20-15(22)12-3-5-13(6-4-12)16-19-14(21-23-16)11-1-2-11/h3-6,11H,1-2,7-8,10H2,(H,20,22)/t17-/m1/s1
InChIKeyHWROBFOGKCPOHT-QGZVFWFLSA-N
MW340.41 g/mol
LogP2.74
Rot. Bonds4

About N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide

N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 96534587) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID96534587
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESN#C[C@]1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCSC1
InChIInChI=1S/C17H16N4O2S/c18-9-17(7-8-24-10-17)20-15(22)12-3-5-13(6-4-12)16-19-14(21-23-16)11-1-2-11/h3-6,11H,1-2,7-8,10H2,(H,20,22)/t17-/m1/s1
InChIKeyHWROBFOGKCPOHT-QGZVFWFLSA-N
XLogP2.74
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide (CID 96534587) is N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide is N#C[C@]1(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCSC1.
What is the InChIKey of N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is HWROBFOGKCPOHT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-9-17(7-8-24-10-17)20-15(22)12-3-5-13(6-4-12)16-19-14(21-23-16)11-1-2-11/h3-6,11H,1-2,7-8,10H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-cyanothiolan-3-yl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 96534587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).