N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide

C18H29N3O4 — CID 75366920

IUPACN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CCC3)O2)no1
InChIInChI=1S/C18H29N3O4/c1-21(2)11-15-9-13(20-25-15)8-14-6-7-16(22)17(24-14)10-19-18(23)12-4-3-5-12/h9,12,14,16-17,22H,3-8,10-11H2,1-2H3,(H,19,23)/t14-,16-,17+/m0/s1
InChIKeyJVZJNGMHDFPMNK-BHYGNILZSA-N
MW351.45 g/mol
LogP1.10
Rot. Bonds7

About N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide

N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 75366920) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide
PubChem CID75366920
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide
SMILESCN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CCC3)O2)no1
InChIInChI=1S/C18H29N3O4/c1-21(2)11-15-9-13(20-25-15)8-14-6-7-16(22)17(24-14)10-19-18(23)12-4-3-5-12/h9,12,14,16-17,22H,3-8,10-11H2,1-2H3,(H,19,23)/t14-,16-,17+/m0/s1
InChIKeyJVZJNGMHDFPMNK-BHYGNILZSA-N
XLogP1.10
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]cyclobutanecarboxamide
CID 75536328
N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
CID 162877392
(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-[[(4-methoxyphenyl)methylamino]methyl]oxan-3-ol
CID 100584360
1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea
CID 162798696
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75366960
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 86769373
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide
CID 75536440
6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
CID 163057718
6-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-[(dimethylamino)methyl]oxan-3-ol
CID 163048202
N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
CID 163087352
1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
CID 75536433
6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162999279

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide (CID 75366920) is N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide is CN(C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CCC3)O2)no1.
What is the InChIKey of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is JVZJNGMHDFPMNK-BHYGNILZSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-21(2)11-15-9-13(20-25-15)8-14-6-7-16(22)17(24-14)10-19-18(23)12-4-3-5-12/h9,12,14,16-17,22H,3-8,10-11H2,1-2H3,(H,19,23)/t14-,16-,17+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide?
N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 75366920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).