N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

C18H20N4O2S — CID 56721305

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCc1ccc(CNC(=O)CCc2nnc(-c3ccc(C)s3)o2)nc1
InChIInChI=1S/C18H20N4O2S/c1-3-13-5-6-14(19-10-13)11-20-16(23)8-9-17-21-22-18(24-17)15-7-4-12(2)25-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyYARHMGBSJBDGAS-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.31
Rot. Bonds7

About N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 56721305) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID56721305
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCc1ccc(CNC(=O)CCc2nnc(-c3ccc(C)s3)o2)nc1
InChIInChI=1S/C18H20N4O2S/c1-3-13-5-6-14(19-10-13)11-20-16(23)8-9-17-21-22-18(24-17)15-7-4-12(2)25-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyYARHMGBSJBDGAS-UHFFFAOYSA-N
XLogP3.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 56721305) is N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is CCc1ccc(CNC(=O)CCc2nnc(-c3ccc(C)s3)o2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is YARHMGBSJBDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-13-5-6-14(19-10-13)11-20-16(23)8-9-17-21-22-18(24-17)15-7-4-12(2)25-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 56721305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).