N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide

C11H16N2O4 — CID 110125559

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccon2)[C@H]1O
InChIInChI=1S/C11H16N2O4/c1-16-9-4-2-3-7(10(9)14)12-11(15)8-5-6-17-13-8/h5-7,9-10,14H,2-4H2,1H3,(H,12,15)/t7-,9-,10-/m1/s1
InChIKeyKEMQJOLUPVENMD-SZEHBUNVSA-N
MW240.26 g/mol
LogP0.33
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 110125559) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID110125559
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@@H](NC(=O)c2ccon2)[C@H]1O
InChIInChI=1S/C11H16N2O4/c1-16-9-4-2-3-7(10(9)14)12-11(15)8-5-6-17-13-8/h5-7,9-10,14H,2-4H2,1H3,(H,12,15)/t7-,9-,10-/m1/s1
InChIKeyKEMQJOLUPVENMD-SZEHBUNVSA-N
XLogP0.33
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide (CID 110125559) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide is CO[C@@H]1CCC[C@@H](NC(=O)c2ccon2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KEMQJOLUPVENMD-SZEHBUNVSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-9-4-2-3-7(10(9)14)12-11(15)8-5-6-17-13-8/h5-7,9-10,14H,2-4H2,1H3,(H,12,15)/t7-,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110125559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).