N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H23N3O4 — CID 174295177

IUPACN-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(=O)c(C4CC4)cc3N)cc2)C(=O)O1
InChIInChI=1S/C22H23N3O4/c1-13(26)24-11-17-12-25(22(28)29-17)16-6-4-14(5-7-16)18-8-9-21(27)19(10-20(18)23)15-2-3-15/h4-10,15,17H,2-3,11-12,23H2,1H3,(H,24,26)
InChIKeyPQOUHOCRRLJXPJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.63
Rot. Bonds5

About N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 174295177) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID174295177
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(=O)c(C4CC4)cc3N)cc2)C(=O)O1
InChIInChI=1S/C22H23N3O4/c1-13(26)24-11-17-12-25(22(28)29-17)16-6-4-14(5-7-16)18-8-9-21(27)19(10-20(18)23)15-2-3-15/h4-10,15,17H,2-3,11-12,23H2,1H3,(H,24,26)
InChIKeyPQOUHOCRRLJXPJ-UHFFFAOYSA-N
XLogP2.63
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987839
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59749515

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 174295177) is N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(=O)c(C4CC4)cc3N)cc2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PQOUHOCRRLJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(26)24-11-17-12-25(22(28)29-17)16-6-4-14(5-7-16)18-8-9-21(27)19(10-20(18)23)15-2-3-15/h4-10,15,17H,2-3,11-12,23H2,1H3,(H,24,26).
What are the key properties of N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-amino-4-cyclopropyl-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 174295177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).