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

C20H25FN4O2 — CID 75367509

IUPAC1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(26)24-8-6-17(7-9-24)22-10-18-12-25-19(11-23-20(25)13-27-18)15-2-4-16(21)5-3-15/h2-5,11,17-18,22H,6-10,12-13H2,1H3/t18-/m0/s1
InChIKeyJROZULDNYOTRCX-SFHVURJKSA-N
MW372.44 g/mol
LogP2.19
Rot. Bonds4

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

1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone (PubChem CID 75367509) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
PubChem CID75367509
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(26)24-8-6-17(7-9-24)22-10-18-12-25-19(11-23-20(25)13-27-18)15-2-4-16(21)5-3-15/h2-5,11,17-18,22H,6-10,12-13H2,1H3/t18-/m0/s1
InChIKeyJROZULDNYOTRCX-SFHVURJKSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone (CID 75367509) is 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)CC1.
What is the InChIKey of 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is JROZULDNYOTRCX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14(26)24-8-6-17(7-9-24)22-10-18-12-25-19(11-23-20(25)13-27-18)15-2-4-16(21)5-3-15/h2-5,11,17-18,22H,6-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 372.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 75367509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).