N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

C23H34N4O2 — CID 83283215

IUPACN-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCc1nc(-c2ccc(N(C)C)cc2)no1)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-17(2)16-22(28)27(20-8-6-5-7-9-20)15-14-21-24-23(25-29-21)18-10-12-19(13-11-18)26(3)4/h10-13,17,20H,5-9,14-16H2,1-4H3
InChIKeyBHUGROOEZHJKAX-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.55
Rot. Bonds8

About N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide

N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (PubChem CID 83283215) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
PubChem CID83283215
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CCc1nc(-c2ccc(N(C)C)cc2)no1)C1CCCCC1
InChIInChI=1S/C23H34N4O2/c1-17(2)16-22(28)27(20-8-6-5-7-9-20)15-14-21-24-23(25-29-21)18-10-12-19(13-11-18)26(3)4/h10-13,17,20H,5-9,14-16H2,1-4H3
InChIKeyBHUGROOEZHJKAX-UHFFFAOYSA-N
XLogP4.55
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 83289864
N-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83285265
N-cyclohexyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51308184
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide
CID 83279040
N-cyclohexyl-3,3-dimethyl-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83279542
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
CID 83289884
N-[[3-[4-(2-aminopropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexanamine
CID 170864938
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 83272653
N-cyclohexyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83285428
N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 83289080
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
3-methyl-N-(2-phenylethyl)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 83280014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide (CID 83283215) is N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is CC(C)CC(=O)N(CCc1nc(-c2ccc(N(C)C)cc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
The InChIKey is BHUGROOEZHJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-17(2)16-22(28)27(20-8-6-5-7-9-20)15-14-21-24-23(25-29-21)18-10-12-19(13-11-18)26(3)4/h10-13,17,20H,5-9,14-16H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide?
N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide has a molecular weight of 398.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 83283215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).