(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C15H23N3O3 — CID 96500616

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C15H23N3O3/c1-10-14(11(2)21-16-10)15(20)18-8-6-17(7-9-18)12-4-3-5-13(12)19/h12-13,19H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyZEXXAWOJAJYFMK-OLZOCXBDSA-N
MW293.37 g/mol
LogP0.96
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 96500616) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID96500616
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C15H23N3O3/c1-10-14(11(2)21-16-10)15(20)18-8-6-17(7-9-18)12-4-3-5-13(12)19/h12-13,19H,3-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyZEXXAWOJAJYFMK-OLZOCXBDSA-N
XLogP0.96
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 96500616) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is ZEXXAWOJAJYFMK-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-14(11(2)21-16-10)15(20)18-8-6-17(7-9-18)12-4-3-5-13(12)19/h12-13,19H,3-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 96500616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).