N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H22FN3O3 — CID 23404294

IUPACN-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C2=CCC(c3ccc(CN)cc3)C(F)=C2)C(=O)O1
InChIInChI=1S/C19H22FN3O3/c1-12(24)22-10-16-11-23(19(25)26-16)15-6-7-17(18(20)8-15)14-4-2-13(9-21)3-5-14/h2-6,8,16-17H,7,9-11,21H2,1H3,(H,22,24)
InChIKeyKMVQDPHTLFUOCS-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.33
Rot. Bonds5

About N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404294) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404294
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C2=CCC(c3ccc(CN)cc3)C(F)=C2)C(=O)O1
InChIInChI=1S/C19H22FN3O3/c1-12(24)22-10-16-11-23(19(25)26-16)15-6-7-17(18(20)8-15)14-4-2-13(9-21)3-5-14/h2-6,8,16-17H,7,9-11,21H2,1H3,(H,22,24)
InChIKeyKMVQDPHTLFUOCS-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
N-[[(5S)-3-[4-[4-[(cyanomethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11560306
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011280
N-[[3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21907473
N-(1,1-diphenylethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 53587503
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroacetamide
CID 145965978
N-benzyl-N-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 46062619
3-[3-[[1-(4-Fluorophenyl)cyclobutyl]amino]propyl]-1,3-oxazolidin-2-one
CID 53612828
N-[[(5S)-3-[4-[4-[[acetyl(cyanomethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11166516
N-[[(5S)-3-[3-fluoro-4-[4-[(prop-2-ynylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11211603
N-[[(5S)-3-[4-[4-[(2,2-difluoroethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11212339

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404294) is N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(C2=CCC(c3ccc(CN)cc3)C(F)=C2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KMVQDPHTLFUOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(24)22-10-16-11-23(19(25)26-16)15-6-7-17(18(20)8-15)14-4-2-13(9-21)3-5-14/h2-6,8,16-17H,7,9-11,21H2,1H3,(H,22,24).
What are the key properties of N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-(aminomethyl)phenyl]-5-fluorocyclohexa-1,5-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).