N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide

C19H31N3O3 — CID 56774235

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCCCC3)on2)C1(C)C
InChIInChI=1S/C19H31N3O3/c1-19(2)14(10-17(19)20-18(23)13-24-3)9-15-11-16(25-21-15)12-22-7-5-4-6-8-22/h11,14,17H,4-10,12-13H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyXTGUHBRMMLQOAJ-PBHICJAKSA-N
MW349.48 g/mol
LogP2.38
Rot. Bonds7

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide (PubChem CID 56774235) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
PubChem CID56774235
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCCCC3)on2)C1(C)C
InChIInChI=1S/C19H31N3O3/c1-19(2)14(10-17(19)20-18(23)13-24-3)9-15-11-16(25-21-15)12-22-7-5-4-6-8-22/h11,14,17H,4-10,12-13H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyXTGUHBRMMLQOAJ-PBHICJAKSA-N
XLogP2.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide (CID 56774235) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide is COCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCCCC3)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The InChIKey is XTGUHBRMMLQOAJ-PBHICJAKSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2)14(10-17(19)20-18(23)13-24-3)9-15-11-16(25-21-15)12-22-7-5-4-6-8-22/h11,14,17H,4-10,12-13H2,1-3H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide has a molecular weight of 349.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide is sourced from PubChem (CID 56774235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).