[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone

C21H29N3O2 — CID 56908974

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ncoc1C1CC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H29N3O2/c25-20(18-19(17-1-2-17)26-13-22-18)23-3-5-24(6-4-23)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,1-12H2
InChIKeyKSUFLWYCOZJRGW-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.28
Rot. Bonds3

About [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone

[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone (PubChem CID 56908974) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
PubChem CID56908974
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ncoc1C1CC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H29N3O2/c25-20(18-19(17-1-2-17)26-13-22-18)23-3-5-24(6-4-23)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,1-12H2
InChIKeyKSUFLWYCOZJRGW-UHFFFAOYSA-N
XLogP3.28
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72886665
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901662
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56885721
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 72859720
[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 56886117
[4-(1-adamantyl)piperazin-1-yl]-[4-(2-chlorophenyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 3805317
5-[4-(1-adamantyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 56910801
1-[(4aR,7aS)-4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propan-1-one
CID 70707372
(2R)-1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 95871198
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone (CID 56908974) is [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone is O=C(c1ncoc1C1CC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?
The InChIKey is KSUFLWYCOZJRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(18-19(17-1-2-17)26-13-22-18)23-3-5-24(6-4-23)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,1-12H2.
What are the key properties of [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone has a molecular weight of 355.48 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 56908974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).