1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C28H31FN4O3 — CID 91889652

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)cc1
InChIInChI=1S/C28H31FN4O3/c1-18(2)19-5-9-23(10-6-19)31-27(34)21-11-13-32(14-12-21)28(35)26-24-16-36-25(15-33(24)17-30-26)20-3-7-22(29)8-4-20/h3-10,17-18,21,25H,11-16H2,1-2H3,(H,31,34)
InChIKeyUPHWMHIHAUQMAR-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.91
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 91889652) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID91889652
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)cc1
InChIInChI=1S/C28H31FN4O3/c1-18(2)19-5-9-23(10-6-19)31-27(34)21-11-13-32(14-12-21)28(35)26-24-16-36-25(15-33(24)17-30-26)20-3-7-22(29)8-4-20/h3-10,17-18,21,25H,11-16H2,1-2H3,(H,31,34)
InChIKeyUPHWMHIHAUQMAR-UHFFFAOYSA-N
XLogP4.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 91889652) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ncn4c3COC(c3ccc(F)cc3)C4)CC2)cc1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is UPHWMHIHAUQMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-18(2)19-5-9-23(10-6-19)31-27(34)21-11-13-32(14-12-21)28(35)26-24-16-36-25(15-33(24)17-30-26)20-3-7-22(29)8-4-20/h3-10,17-18,21,25H,11-16H2,1-2H3,(H,31,34).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).