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

C18H23N5O3 — CID 167935934

IUPACN-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2nc(C3(NC(C)=O)CCCCC3)no2)c1
InChIInChI=1S/C18H23N5O3/c1-3-15(25)20-14-9-13(10-19-11-14)16-21-17(23-26-16)18(22-12(2)24)7-5-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyRBBWWMWXPFKUOL-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.78
Rot. Bonds5

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

N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 167935934) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide
PubChem CID167935934
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2nc(C3(NC(C)=O)CCCCC3)no2)c1
InChIInChI=1S/C18H23N5O3/c1-3-15(25)20-14-9-13(10-19-11-14)16-21-17(23-26-16)18(22-12(2)24)7-5-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyRBBWWMWXPFKUOL-UHFFFAOYSA-N
XLogP2.78
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide (CID 167935934) is N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2nc(C3(NC(C)=O)CCCCC3)no2)c1.
What is the InChIKey of N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is RBBWWMWXPFKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-15(25)20-14-9-13(10-19-11-14)16-21-17(23-26-16)18(22-12(2)24)7-5-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1-acetamidocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 167935934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).