N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C15H16N4O2S — CID 17459603

IUPACN-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(C(C)C)o1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H16N4O2S/c1-9(2)14-18-19-15(21-14)22-10(3)13(20)17-12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20)
InChIKeyKUBKROWCWXGXGN-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.18
Rot. Bonds5

About N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 17459603) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID17459603
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(C(C)C)o1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H16N4O2S/c1-9(2)14-18-19-15(21-14)22-10(3)13(20)17-12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20)
InChIKeyKUBKROWCWXGXGN-UHFFFAOYSA-N
XLogP3.18
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 17459603) is N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(C(C)C)o1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KUBKROWCWXGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9(2)14-18-19-15(21-14)22-10(3)13(20)17-12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 316.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 17459603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).