1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide

C24H31FN4O3 — CID 87054876

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H31FN4O3/c1-3-19(4-2)27-23(30)17-9-11-28(12-10-17)24(31)22-20-14-32-21(13-29(20)15-26-22)16-5-7-18(25)8-6-16/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3,(H,27,30)
InChIKeyYYJOCJXAEKPSNH-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.45
Rot. Bonds6

About 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 87054876) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID87054876
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H31FN4O3/c1-3-19(4-2)27-23(30)17-9-11-28(12-10-17)24(31)22-20-14-32-21(13-29(20)15-26-22)16-5-7-18(25)8-6-16/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3,(H,27,30)
InChIKeyYYJOCJXAEKPSNH-UHFFFAOYSA-N
XLogP3.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.45
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-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide (CID 87054876) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-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-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is YYJOCJXAEKPSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-3-19(4-2)27-23(30)17-9-11-28(12-10-17)24(31)22-20-14-32-21(13-29(20)15-26-22)16-5-7-18(25)8-6-16/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3,(H,27,30).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.45, 6 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-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 87054876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).