1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C16H25N3O3 — CID 71783150

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H25N3O3/c1-11-14(12(2)22-17-11)9-16(21)19-7-5-18(6-8-19)10-15(20)13-3-4-13/h13,15,20H,3-10H2,1-2H3
InChIKeyVWWGAAWKGXHONP-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.75
Rot. Bonds5

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 71783150) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID71783150
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H25N3O3/c1-11-14(12(2)22-17-11)9-16(21)19-7-5-18(6-8-19)10-15(20)13-3-4-13/h13,15,20H,3-10H2,1-2H3
InChIKeyVWWGAAWKGXHONP-UHFFFAOYSA-N
XLogP0.75
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 71783150) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is VWWGAAWKGXHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-14(12(2)22-17-11)9-16(21)19-7-5-18(6-8-19)10-15(20)13-3-4-13/h13,15,20H,3-10H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 71783150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).