N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide

C14H22N2O4 — CID 56774115

IUPACN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C
InChIInChI=1S/C14H22N2O4/c1-14(2)9(4-10-6-11(7-17)20-16-10)5-12(14)15-13(18)8-19-3/h6,9,12,17H,4-5,7-8H2,1-3H3,(H,15,18)/t9-,12+/m1/s1
InChIKeyNHJGFULCQMTNOL-SKDRFNHKSA-N
MW282.34 g/mol
LogP0.89
Rot. Bonds6

About N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide

N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide (PubChem CID 56774115) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide
PubChem CID56774115
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C
InChIInChI=1S/C14H22N2O4/c1-14(2)9(4-10-6-11(7-17)20-16-10)5-12(14)15-13(18)8-19-3/h6,9,12,17H,4-5,7-8H2,1-3H3,(H,15,18)/t9-,12+/m1/s1
InChIKeyNHJGFULCQMTNOL-SKDRFNHKSA-N
XLogP0.89
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide (CID 56774115) is N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide is COCC(=O)N[C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide?
The InChIKey is NHJGFULCQMTNOL-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2)9(4-10-6-11(7-17)20-16-10)5-12(14)15-13(18)8-19-3/h6,9,12,17H,4-5,7-8H2,1-3H3,(H,15,18)/t9-,12+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide?
N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide has a molecular weight of 282.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-2-methoxyacetamide is sourced from PubChem (CID 56774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).