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

C27H35N3O2 — CID 8836721

IUPACN-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide
SMILESCc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCC3)n2)c1
InChIInChI=1S/C27H35N3O2/c1-18-6-5-7-22(10-18)25-28-24(32-29-25)17-30(23-8-3-2-4-9-23)26(31)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-7,10,19-21,23H,2-4,8-9,11-17H2,1H3
InChIKeyQIWBQFZWKJOYCK-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.92
Rot. Bonds5

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

N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide (PubChem CID 8836721) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide
PubChem CID8836721
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide
SMILESCc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCC3)n2)c1
InChIInChI=1S/C27H35N3O2/c1-18-6-5-7-22(10-18)25-28-24(32-29-25)17-30(23-8-3-2-4-9-23)26(31)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-7,10,19-21,23H,2-4,8-9,11-17H2,1H3
InChIKeyQIWBQFZWKJOYCK-UHFFFAOYSA-N
XLogP5.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yladamantane-1-carboxamide
CID 2967903
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
3-tert-butyl-1-cyclohexyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895649
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154570
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
CID 6494663
3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
CID 119911331
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide (CID 8836721) is N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide is Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide?
The InChIKey is QIWBQFZWKJOYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-18-6-5-7-22(10-18)25-28-24(32-29-25)17-30(23-8-3-2-4-9-23)26(31)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-7,10,19-21,23H,2-4,8-9,11-17H2,1H3.
What are the key properties of N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide?
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 8836721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).