2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone

C21H29N3O3 — CID 108568028

IUPAC2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)no1
InChIInChI=1S/C21H29N3O3/c1-14-6-18(22-27-14)20(26)24-4-2-23(3-5-24)19(25)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h6,15-17H,2-5,7-13H2,1H3
InChIKeyRFYMQPDBDJSBNY-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.87
Rot. Bonds3

About 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone

2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108568028) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID108568028
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)no1
InChIInChI=1S/C21H29N3O3/c1-14-6-18(22-27-14)20(26)24-4-2-23(3-5-24)19(25)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h6,15-17H,2-5,7-13H2,1H3
InChIKeyRFYMQPDBDJSBNY-UHFFFAOYSA-N
XLogP2.87
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cym-5541
CID 17253208
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5309153
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
N,N-dicyclohexyl-5-isopropyl-3-isoxazolecarboxamide
CID 17253281
N,N-dicyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 25110485
5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110496
N-cyclohexyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110498
N-cycloheptyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110499
N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
CID 56955980
N,N-dicyclohexyl-5-cyclopentyl-1,2-oxazole-3-carboxamide
CID 56955982
(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-(Diphenylmethyl)piperazinyl 5-(2-methylpropyl)isoxazol-3-yl ketone
CID 9550629

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (CID 108568028) is 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)no1.
What is the InChIKey of 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RFYMQPDBDJSBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-6-18(22-27-14)20(26)24-4-2-23(3-5-24)19(25)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h6,15-17H,2-5,7-13H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 371.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108568028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).