N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

C14H22N2O5 — CID 110125565

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)noc1C
InChIInChI=1S/C14H22N2O5/c1-8-9(7-19-2)12(16-21-8)14(18)15-10-5-4-6-11(20-3)13(10)17/h10-11,13,17H,4-7H2,1-3H3,(H,15,18)/t10-,11-,13-/m1/s1
InChIKeyUAFVKHQPHFUWCX-NQBHXWOUSA-N
MW298.34 g/mol
LogP0.79
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 110125565) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID110125565
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)noc1C
InChIInChI=1S/C14H22N2O5/c1-8-9(7-19-2)12(16-21-8)14(18)15-10-5-4-6-11(20-3)13(10)17/h10-11,13,17H,4-7H2,1-3H3,(H,15,18)/t10-,11-,13-/m1/s1
InChIKeyUAFVKHQPHFUWCX-NQBHXWOUSA-N
XLogP0.79
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110127802
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125354
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443193
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 110125565) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is COCc1c(C(=O)N[C@@H]2CCC[C@@H](OC)[C@@H]2O)noc1C.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UAFVKHQPHFUWCX-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-8-9(7-19-2)12(16-21-8)14(18)15-10-5-4-6-11(20-3)13(10)17/h10-11,13,17H,4-7H2,1-3H3,(H,15,18)/t10-,11-,13-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110125565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).