N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C17H20ClN3O3 — CID 126830986

IUPACN-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C17H20ClN3O3/c1-10(22)20-16(2,3)15-19-14(24-21-15)11-8-17(23,9-11)12-5-4-6-13(18)7-12/h4-7,11,23H,8-9H2,1-3H3,(H,20,22)
InChIKeyKHZOMWPMSYGJEE-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.86
Rot. Bonds4

About N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 126830986) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID126830986
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C17H20ClN3O3/c1-10(22)20-16(2,3)15-19-14(24-21-15)11-8-17(23,9-11)12-5-4-6-13(18)7-12/h4-7,11,23H,8-9H2,1-3H3,(H,20,22)
InChIKeyKHZOMWPMSYGJEE-UHFFFAOYSA-N
XLogP2.86
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120834963
N-[2-[5-[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 97027772
N-[2-[5-[5-(aminomethyl)oxolan-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-chlorobenzamide
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N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 124881503
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CID 170108590
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CID 146088960
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
3-chloro-N-[2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834977
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 126830986) is N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1.
What is the InChIKey of N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is KHZOMWPMSYGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-10(22)20-16(2,3)15-19-14(24-21-15)11-8-17(23,9-11)12-5-4-6-13(18)7-12/h4-7,11,23H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(3-chlorophenyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 126830986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).