N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

C17H21N3O2 — CID 50905778

IUPACN-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCC(=O)N(c1nc(-c2ccc(C)cc2)no1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-14(11-9-12)16-18-17(22-19-16)20(13(2)21)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3
InChIKeyBTOPZZYAOOUYEG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.73
Rot. Bonds3

About N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide

N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 50905778) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID50905778
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCC(=O)N(c1nc(-c2ccc(C)cc2)no1)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-14(11-9-12)16-18-17(22-19-16)20(13(2)21)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3
InChIKeyBTOPZZYAOOUYEG-UHFFFAOYSA-N
XLogP3.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13738
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4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
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CID 3160344
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087
N-isopropyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenylpropanamide
CID 1250310
N-isopropyl-2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 1257973
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CID 2006214

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 50905778) is N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is CC(=O)N(c1nc(-c2ccc(C)cc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is BTOPZZYAOOUYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-10-14(11-9-12)16-18-17(22-19-16)20(13(2)21)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 50905778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).