N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide

C18H23N3O4 — CID 164639309

IUPACN-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(-c2cnco2)c1)CN1CCOCC1
InChIInChI=1S/C18H23N3O4/c1-18(23,12-21-5-7-24-8-6-21)11-20-17(22)15-4-2-3-14(9-15)16-10-19-13-25-16/h2-4,9-10,13,23H,5-8,11-12H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHIVWAEDHJDJJDY-SFHVURJKSA-N
MW345.40 g/mol
LogP1.15
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide

N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide (PubChem CID 164639309) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
PubChem CID164639309
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(-c2cnco2)c1)CN1CCOCC1
InChIInChI=1S/C18H23N3O4/c1-18(23,12-21-5-7-24-8-6-21)11-20-17(22)15-4-2-3-14(9-15)16-10-19-13-25-16/h2-4,9-10,13,23H,5-8,11-12H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHIVWAEDHJDJJDY-SFHVURJKSA-N
XLogP1.15
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 111519900
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111698262
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
1-morpholin-4-yl-2-[4-[2-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 72944864
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111519938
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
N-(2,2-dimethyl-3-phenylpropyl)-4-(1,3-oxazol-5-yl)benzamide
CID 86965796

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide (CID 164639309) is N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide is C[C@](O)(CNC(=O)c1cccc(-c2cnco2)c1)CN1CCOCC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide?
The InChIKey is HIVWAEDHJDJJDY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(23,12-21-5-7-24-8-6-21)11-20-17(22)15-4-2-3-14(9-15)16-10-19-13-25-16/h2-4,9-10,13,23H,5-8,11-12H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide?
N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 164639309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).