N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide

C17H22FN3O4 — CID 143013583

IUPACN-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(c2ccc(OC3CCNC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H22FN3O4/c1-11(22)20-10-14-5-7-21(17(23)25-14)12-2-3-16(15(18)8-12)24-13-4-6-19-9-13/h2-3,8,13-14,19H,4-7,9-10H2,1H3,(H,20,22)/t13?,14-/m1/s1
InChIKeyRMGQRABRIJXWFU-ARLHGKGLSA-N
MW351.38 g/mol
LogP1.42
Rot. Bonds5

About N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide

N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide (PubChem CID 143013583) has the molecular formula C17H22FN3O4 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide
PubChem CID143013583
Molecular FormulaC17H22FN3O4
Molecular Weight351.38 g/mol
Exact Mass351.16
IUPAC NameN-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(c2ccc(OC3CCNC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H22FN3O4/c1-11(22)20-10-14-5-7-21(17(23)25-14)12-2-3-16(15(18)8-12)24-13-4-6-19-9-13/h2-3,8,13-14,19H,4-7,9-10H2,1H3,(H,20,22)/t13?,14-/m1/s1
InChIKeyRMGQRABRIJXWFU-ARLHGKGLSA-N
XLogP1.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58003518
N-[[(5S)-3-[4-[1-(2,1,3-benzoxadiazol-5-yl)piperidin-4-yl]oxy-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11626921
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
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CID 73056504
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CID 10299464
N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12051219
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[3-fluoro-4-[4-(piperidine-3-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10479536

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide?
The IUPAC name of N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide (CID 143013583) is N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(c2ccc(OC3CCNC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide?
The InChIKey is RMGQRABRIJXWFU-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H22FN3O4/c1-11(22)20-10-14-5-7-21(17(23)25-14)12-2-3-16(15(18)8-12)24-13-4-6-19-9-13/h2-3,8,13-14,19H,4-7,9-10H2,1H3,(H,20,22)/t13?,14-/m1/s1.
What are the key properties of N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide?
N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-3-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)-2-oxo-1,3-oxazinan-6-yl]methyl]acetamide is sourced from PubChem (CID 143013583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).