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

C19H25N3O2 — CID 3160331

IUPACN-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O2/c1-14-7-5-8-15(13-14)19-21-18(24-22-19)12-6-11-17(23)20-16-9-3-2-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H,20,23)
InChIKeyBWPPEJWPKGIRHE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.82
Rot. Bonds6

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

N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 3160331) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID3160331
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C19H25N3O2/c1-14-7-5-8-15(13-14)19-21-18(24-22-19)12-6-11-17(23)20-16-9-3-2-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H,20,23)
InChIKeyBWPPEJWPKGIRHE-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 3160331) is N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cccc(-c2noc(CCCC(=O)NC3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is BWPPEJWPKGIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-7-5-8-15(13-14)19-21-18(24-22-19)12-6-11-17(23)20-16-9-3-2-4-10-16/h5,7-8,13,16H,2-4,6,9-12H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 3160331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).