N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H22F2N2O4 — CID 15951372

IUPACN-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1(C)CC(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(17(24)26-13)12-4-14(19)16(15(20)5-12)11-6-18(2,7-11)25-3/h4-5,11,13H,6-9H2,1-3H3,(H,21,23)/t11?,13-,18?/m0/s1
InChIKeyRWEHFPGWXQUQNA-HLZQHVJHSA-N
MW368.38 g/mol
LogP2.71
Rot. Bonds5

About N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15951372) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID15951372
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1(C)CC(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(17(24)26-13)12-4-14(19)16(15(20)5-12)11-6-18(2,7-11)25-3/h4-5,11,13H,6-9H2,1-3H3,(H,21,23)/t11?,13-,18?/m0/s1
InChIKeyRWEHFPGWXQUQNA-HLZQHVJHSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15951372) is N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COC1(C)CC(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RWEHFPGWXQUQNA-HLZQHVJHSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c1-10(23)21-8-13-9-22(17(24)26-13)12-4-14(19)16(15(20)5-12)11-6-18(2,7-11)25-3/h4-5,11,13H,6-9H2,1-3H3,(H,21,23)/t11?,13-,18?/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 368.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-(3-methoxy-3-methylcyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15951372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).