[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C18H25N3O2 — CID 71924800

IUPAC[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C18H25N3O2/c22-18(15-11-17(23-19-15)13-3-4-13)21-7-5-20(6-8-21)16-10-12-1-2-14(16)9-12/h11-14,16H,1-10H2
InChIKeyBOYGRGNCXMIIPZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.50
Rot. Bonds3

About [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 71924800) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID71924800
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C18H25N3O2/c22-18(15-11-17(23-19-15)13-3-4-13)21-7-5-20(6-8-21)16-10-12-1-2-14(16)9-12/h11-14,16H,1-10H2
InChIKeyBOYGRGNCXMIIPZ-UHFFFAOYSA-N
XLogP2.50
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 11897025
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119041061
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 71924800) is [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is BOYGRGNCXMIIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(15-11-17(23-19-15)13-3-4-13)21-7-5-20(6-8-21)16-10-12-1-2-14(16)9-12/h11-14,16H,1-10H2.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71924800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).