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

C25H24ClFN4O3 — CID 91889643

IUPACN-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C25H24ClFN4O3/c26-19-12-18(6-7-20(19)27)29-24(32)17-8-10-30(11-9-17)25(33)23-21-14-34-22(13-31(21)15-28-23)16-4-2-1-3-5-16/h1-7,12,15,17,22H,8-11,13-14H2,(H,29,32)
InChIKeyLLAAOVXITUIHMG-UHFFFAOYSA-N
MW482.94 g/mol
LogP4.44
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91889643) has the molecular formula C25H24ClFN4O3 and a molecular weight of 482.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91889643
Molecular FormulaC25H24ClFN4O3
Molecular Weight482.94 g/mol
Exact Mass482.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C25H24ClFN4O3/c26-19-12-18(6-7-20(19)27)29-24(32)17-8-10-30(11-9-17)25(33)23-21-14-34-22(13-31(21)15-28-23)16-4-2-1-3-5-16/h1-7,12,15,17,22H,8-11,13-14H2,(H,29,32)
InChIKeyLLAAOVXITUIHMG-UHFFFAOYSA-N
XLogP4.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91889643) is N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is LLAAOVXITUIHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O3/c26-19-12-18(6-7-20(19)27)29-24(32)17-8-10-30(11-9-17)25(33)23-21-14-34-22(13-31(21)15-28-23)16-4-2-1-3-5-16/h1-7,12,15,17,22H,8-11,13-14H2,(H,29,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).