N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide

C15H24N2O4 — CID 126801364

IUPACN-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COC(C)(C)C)on1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)20-9-10-8-11(16-21-10)14(19)17(4)12-6-5-7-13(12)18/h8,12-13,18H,5-7,9H2,1-4H3/t12-,13-/m1/s1
InChIKeyQXYLNZKJYFOEGF-CHWSQXEVSA-N
MW296.37 g/mol
LogP1.98
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 126801364) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID126801364
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COC(C)(C)C)on1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C15H24N2O4/c1-15(2,3)20-9-10-8-11(16-21-10)14(19)17(4)12-6-5-7-13(12)18/h8,12-13,18H,5-7,9H2,1-4H3/t12-,13-/m1/s1
InChIKeyQXYLNZKJYFOEGF-CHWSQXEVSA-N
XLogP1.98
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 126801364) is N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(COC(C)(C)C)on1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QXYLNZKJYFOEGF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)20-9-10-8-11(16-21-10)14(19)17(4)12-6-5-7-13(12)18/h8,12-13,18H,5-7,9H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126801364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).