N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide

C18H19F2N3O3 — CID 50977229

IUPACN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide
SMILESCOc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1
InChIInChI=1S/C18H19F2N3O3/c1-10(24)23-15-6-16(11-3-13(19)5-14(20)4-11)26-17(7-15)12-8-21-18(25-2)22-9-12/h3-5,8-9,15-17H,6-7H2,1-2H3,(H,23,24)/t15-,16-,17+/m1/s1
InChIKeyVJGWQUYNJLYOAE-ZACQAIPSSA-N
MW363.36 g/mol
LogP2.86
Rot. Bonds4

About N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide (PubChem CID 50977229) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide
PubChem CID50977229
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide
SMILESCOc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1
InChIInChI=1S/C18H19F2N3O3/c1-10(24)23-15-6-16(11-3-13(19)5-14(20)4-11)26-17(7-15)12-8-21-18(25-2)22-9-12/h3-5,8-9,15-17H,6-7H2,1-2H3,(H,23,24)/t15-,16-,17+/m1/s1
InChIKeyVJGWQUYNJLYOAE-ZACQAIPSSA-N
XLogP2.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide (CID 50977229) is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide is COc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)cn1.
What is the InChIKey of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide?
The InChIKey is VJGWQUYNJLYOAE-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-10(24)23-15-6-16(11-3-13(19)5-14(20)4-11)26-17(7-15)12-8-21-18(25-2)22-9-12/h3-5,8-9,15-17H,6-7H2,1-2H3,(H,23,24)/t15-,16-,17+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide has a molecular weight of 363.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-methoxypyrimidin-5-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).