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

C24H29N3O2 — CID 55892501

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NCc5nc(C6CC6)no5)(C4)C2)C3)cc1
InChIInChI=1S/C24H29N3O2/c1-15-2-6-19(7-3-15)23-9-16-8-17(10-23)12-24(11-16,14-23)22(28)25-13-20-26-21(27-29-20)18-4-5-18/h2-3,6-7,16-18H,4-5,8-14H2,1H3,(H,25,28)
InChIKeyFJSXRPFAVAAOOF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.41
Rot. Bonds5

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 55892501) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID55892501
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23CC4CC(CC(C(=O)NCc5nc(C6CC6)no5)(C4)C2)C3)cc1
InChIInChI=1S/C24H29N3O2/c1-15-2-6-19(7-3-15)23-9-16-8-17(10-23)12-24(11-16,14-23)22(28)25-13-20-26-21(27-29-20)18-4-5-18/h2-3,6-7,16-18H,4-5,8-14H2,1H3,(H,25,28)
InChIKeyFJSXRPFAVAAOOF-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide (CID 55892501) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide is Cc1ccc(C23CC4CC(CC(C(=O)NCc5nc(C6CC6)no5)(C4)C2)C3)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is FJSXRPFAVAAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15-2-6-19(7-3-15)23-9-16-8-17(10-23)12-24(11-16,14-23)22(28)25-13-20-26-21(27-29-20)18-4-5-18/h2-3,6-7,16-18H,4-5,8-14H2,1H3,(H,25,28).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 55892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).