N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide

C25H28N2O3 — CID 56774147

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide
SMILESCC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-25(2)19(15-23(25)26-24(28)13-18-9-5-3-6-10-18)14-20-16-22(30-27-20)17-29-21-11-7-4-8-12-21/h3-12,16,19,23H,13-15,17H2,1-2H3,(H,26,28)/t19-,23+/m1/s1
InChIKeyVYSAWLBMFFVGFZ-XXBNENTESA-N
MW404.51 g/mol
LogP4.57
Rot. Bonds8

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide (PubChem CID 56774147) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide
PubChem CID56774147
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide
SMILESCC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-25(2)19(15-23(25)26-24(28)13-18-9-5-3-6-10-18)14-20-16-22(30-27-20)17-29-21-11-7-4-8-12-21/h3-12,16,19,23H,13-15,17H2,1-2H3,(H,26,28)/t19-,23+/m1/s1
InChIKeyVYSAWLBMFFVGFZ-XXBNENTESA-N
XLogP4.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide (CID 56774147) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide is CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide?
The InChIKey is VYSAWLBMFFVGFZ-XXBNENTESA-N. The full InChI is InChI=1S/C25H28N2O3/c1-25(2)19(15-23(25)26-24(28)13-18-9-5-3-6-10-18)14-20-16-22(30-27-20)17-29-21-11-7-4-8-12-21/h3-12,16,19,23H,13-15,17H2,1-2H3,(H,26,28)/t19-,23+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide has a molecular weight of 404.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-phenylacetamide is sourced from PubChem (CID 56774147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).