N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide

C18H29N3O4 — CID 56774206

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C18H29N3O4/c1-18(2)13(9-16(18)19-17(22)12-23-3)8-14-10-15(25-20-14)11-21-4-6-24-7-5-21/h10,13,16H,4-9,11-12H2,1-3H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyNCSWHYGQZODAEM-CJNGLKHVSA-N
MW351.45 g/mol
LogP1.23
Rot. Bonds7

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide (PubChem CID 56774206) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
PubChem CID56774206
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C
InChIInChI=1S/C18H29N3O4/c1-18(2)13(9-16(18)19-17(22)12-23-3)8-14-10-15(25-20-14)11-21-4-6-24-7-5-21/h10,13,16H,4-9,11-12H2,1-3H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyNCSWHYGQZODAEM-CJNGLKHVSA-N
XLogP1.23
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide (CID 56774206) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide is COCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
The InChIKey is NCSWHYGQZODAEM-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-18(2)13(9-16(18)19-17(22)12-23-3)8-14-10-15(25-20-14)11-21-4-6-24-7-5-21/h10,13,16H,4-9,11-12H2,1-3H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide has a molecular weight of 351.45 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-2-methoxyacetamide is sourced from PubChem (CID 56774206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).