N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide

C18H23N3O3 — CID 75506736

IUPACN-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(CC2(O)CCCCC2)n1)NCc1ccccc1
InChIInChI=1S/C18H23N3O3/c22-16(19-13-14-7-3-1-4-8-14)11-15-20-17(24-21-15)12-18(23)9-5-2-6-10-18/h1,3-4,7-8,23H,2,5-6,9-13H2,(H,19,22)
InChIKeyCURFPUMNRCUSJQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds6

About N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide

N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 75506736) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID75506736
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(CC2(O)CCCCC2)n1)NCc1ccccc1
InChIInChI=1S/C18H23N3O3/c22-16(19-13-14-7-3-1-4-8-14)11-15-20-17(24-21-15)12-18(23)9-5-2-6-10-18/h1,3-4,7-8,23H,2,5-6,9-13H2,(H,19,22)
InChIKeyCURFPUMNRCUSJQ-UHFFFAOYSA-N
XLogP2.17
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 75506736) is N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(CC2(O)CCCCC2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is CURFPUMNRCUSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(19-13-14-7-3-1-4-8-14)11-15-20-17(24-21-15)12-18(23)9-5-2-6-10-18/h1,3-4,7-8,23H,2,5-6,9-13H2,(H,19,22).
What are the key properties of N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 75506736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).