ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H29FN4O4 — CID 142997006

IUPACethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C(C)NC=O)cc3)c(F)c2)C(=O)O1.CCN
InChIInChI=1S/C21H22FN3O4.C2H7N/c1-13(24-12-26)15-3-5-16(6-4-15)19-8-7-17(9-20(19)22)25-11-18(29-21(25)28)10-23-14(2)27;1-2-3/h3-9,12-13,18H,10-11H2,1-2H3,(H,23,27)(H,24,26);2-3H2,1H3
InChIKeyFZFCXAPABAMFKO-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.73
Rot. Bonds7

About ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 142997006) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Nameethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID142997006
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Nameethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C(C)NC=O)cc3)c(F)c2)C(=O)O1.CCN
InChIInChI=1S/C21H22FN3O4.C2H7N/c1-13(24-12-26)15-3-5-16(6-4-15)19-8-7-17(9-20(19)22)25-11-18(29-21(25)28)10-23-14(2)27;1-2-3/h3-9,12-13,18H,10-11H2,1-2H3,(H,23,27)(H,24,26);2-3H2,1H3
InChIKeyFZFCXAPABAMFKO-UHFFFAOYSA-N
XLogP2.73
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58721912
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[(5S)-3-[4-[4-[(1R)-1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404032
N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11640497
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67016495
(2R)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-2-aminobutanamide
CID 11189943
[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzoyl]amino] 2-aminoacetate
CID 24993367
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379

Frequently Asked Questions

What is the IUPAC name of ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 142997006) is ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C(C)NC=O)cc3)c(F)c2)C(=O)O1.CCN.
What is the InChIKey of ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FZFCXAPABAMFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4.C2H7N/c1-13(24-12-26)15-3-5-16(6-4-15)19-8-7-17(9-20(19)22)25-11-18(29-21(25)28)10-23-14(2)27;1-2-3/h3-9,12-13,18H,10-11H2,1-2H3,(H,23,27)(H,24,26);2-3H2,1H3.
What are the key properties of ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 142997006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).