(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone

C17H26N2O3 — CID 122153255

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C2CCCCC2O)c(C)o1
InChIInChI=1S/C17H26N2O3/c1-11-16(18-12(2)22-11)17(21)19-10-6-5-8-14(19)13-7-3-4-9-15(13)20/h13-15,20H,3-10H2,1-2H3
InChIKeyAOCTZVZYTQRMSQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.84
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone (PubChem CID 122153255) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone
PubChem CID122153255
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2C2CCCCC2O)c(C)o1
InChIInChI=1S/C17H26N2O3/c1-11-16(18-12(2)22-11)17(21)19-10-6-5-8-14(19)13-7-3-4-9-15(13)20/h13-15,20H,3-10H2,1-2H3
InChIKeyAOCTZVZYTQRMSQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone (CID 122153255) is (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2C2CCCCC2O)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone?
The InChIKey is AOCTZVZYTQRMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-16(18-12(2)22-11)17(21)19-10-6-5-8-14(19)13-7-3-4-9-15(13)20/h13-15,20H,3-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-[2-(2-hydroxycyclohexyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122153255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).