2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide

C16H19N3O4S — CID 91788892

IUPAC2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
SMILESO=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@@H]1OCc1cscn1
InChIInChI=1S/C16H19N3O4S/c20-13-1-4-19(5-2-13)7-16(21)18-14-9-22-6-3-15(14)23-8-12-10-24-11-17-12/h1-2,4-5,10-11,14-15H,3,6-9H2,(H,18,21)/t14-,15+/m1/s1
InChIKeyJFSSNJCKPAOUOO-CABCVRRESA-N
MW349.41 g/mol
LogP0.80
Rot. Bonds6

About 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide

2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide (PubChem CID 91788892) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
PubChem CID91788892
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
SMILESO=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@@H]1OCc1cscn1
InChIInChI=1S/C16H19N3O4S/c20-13-1-4-19(5-2-13)7-16(21)18-14-9-22-6-3-15(14)23-8-12-10-24-11-17-12/h1-2,4-5,10-11,14-15H,3,6-9H2,(H,18,21)/t14-,15+/m1/s1
InChIKeyJFSSNJCKPAOUOO-CABCVRRESA-N
XLogP0.80
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91794603
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-3-thiophen-3-ylpropanamide
CID 91788550
2-[(3S,4R)-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 133268723
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91769713
1-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-2-carboxamide
CID 91795007
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91774352
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
CID 91779011
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
CID 91767933
(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
CID 91765709
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
CID 91779561

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide (CID 91788892) is 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide is O=C(Cn1ccc(=O)cc1)N[C@@H]1COCC[C@@H]1OCc1cscn1.
What is the InChIKey of 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The InChIKey is JFSSNJCKPAOUOO-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-13-1-4-19(5-2-13)7-16(21)18-14-9-22-6-3-15(14)23-8-12-10-24-11-17-12/h1-2,4-5,10-11,14-15H,3,6-9H2,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 91788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).