[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

C17H18FN3O2 — CID 154995078

IUPAC[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc(F)cc1)CCO2)N1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-12-3-5-13(6-4-12)21-9-10-23-15-11-14(19-16(15)21)17(22)20-7-1-2-8-20/h3-6,11,19H,1-2,7-10H2
InChIKeyUHVSNVCBUMAJNJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.92
Rot. Bonds2

About [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone

[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154995078) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID154995078
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc(F)cc1)CCO2)N1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-12-3-5-13(6-4-12)21-9-10-23-15-11-14(19-16(15)21)17(22)20-7-1-2-8-20/h3-6,11,19H,1-2,7-10H2
InChIKeyUHVSNVCBUMAJNJ-UHFFFAOYSA-N
XLogP2.92
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone (CID 154995078) is [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c([nH]1)N(c1ccc(F)cc1)CCO2)N1CCCC1.
What is the InChIKey of [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UHVSNVCBUMAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-3-5-13(6-4-12)21-9-10-23-15-11-14(19-16(15)21)17(22)20-7-1-2-8-20/h3-6,11,19H,1-2,7-10H2.
What are the key properties of [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone?
[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).