4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid

C17H18FN3O4 — CID 75367464

IUPAC4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C17H18FN3O4/c18-12-3-1-11(2-4-12)14-8-19-15-10-25-13(9-21(14)15)7-20-16(22)5-6-17(23)24/h1-4,8,13H,5-7,9-10H2,(H,20,22)(H,23,24)/t13-/m0/s1
InChIKeyQCRNSSPVWPSLER-ZDUSSCGKSA-N
MW347.35 g/mol
LogP1.57
Rot. Bonds6

About 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid

4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid (PubChem CID 75367464) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid
PubChem CID75367464
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C17H18FN3O4/c18-12-3-1-11(2-4-12)14-8-19-15-10-25-13(9-21(14)15)7-20-16(22)5-6-17(23)24/h1-4,8,13H,5-7,9-10H2,(H,20,22)(H,23,24)/t13-/m0/s1
InChIKeyQCRNSSPVWPSLER-ZDUSSCGKSA-N
XLogP1.57
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid (CID 75367464) is 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1.
What is the InChIKey of 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid?
The InChIKey is QCRNSSPVWPSLER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-12-3-1-11(2-4-12)14-8-19-15-10-25-13(9-21(14)15)7-20-16(22)5-6-17(23)24/h1-4,8,13H,5-7,9-10H2,(H,20,22)(H,23,24)/t13-/m0/s1.
What are the key properties of 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid?
4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid has a molecular weight of 347.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 75367464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).