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

C26H26ClFN4O3 — CID 91810164

IUPACN-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C26H26ClFN4O3/c27-20-3-1-2-17(12-20)13-29-25(33)19-8-10-31(11-9-19)26(34)24-22-15-35-23(14-32(22)16-30-24)18-4-6-21(28)7-5-18/h1-7,12,16,19,23H,8-11,13-15H2,(H,29,33)
InChIKeyFOJUZSHURJJDFV-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.12
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 91810164) has the molecular formula C26H26ClFN4O3 and a molecular weight of 496.97 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID91810164
Molecular FormulaC26H26ClFN4O3
Molecular Weight496.97 g/mol
Exact Mass496.17
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C26H26ClFN4O3/c27-20-3-1-2-17(12-20)13-29-25(33)19-8-10-31(11-9-19)26(34)24-22-15-35-23(14-32(22)16-30-24)18-4-6-21(28)7-5-18/h1-7,12,16,19,23H,8-11,13-15H2,(H,29,33)
InChIKeyFOJUZSHURJJDFV-UHFFFAOYSA-N
XLogP4.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 91810164) is N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is FOJUZSHURJJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O3/c27-20-3-1-2-17(12-20)13-29-25(33)19-8-10-31(11-9-19)26(34)24-22-15-35-23(14-32(22)16-30-24)18-4-6-21(28)7-5-18/h1-7,12,16,19,23H,8-11,13-15H2,(H,29,33).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 496.97 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91810164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).