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

C27H29FN4O3 — CID 91889503

IUPACN-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN4O3/c1-18(19-7-9-22(28)10-8-19)30-26(33)21-11-13-31(14-12-21)27(34)25-23-16-35-24(15-32(23)17-29-25)20-5-3-2-4-6-20/h2-10,17-18,21,24H,11-16H2,1H3,(H,30,33)
InChIKeyOKJCKBMARVPAAI-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.02
Rot. Bonds5

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

N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91889503) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91889503
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN4O3/c1-18(19-7-9-22(28)10-8-19)30-26(33)21-11-13-31(14-12-21)27(34)25-23-16-35-24(15-32(23)17-29-25)20-5-3-2-4-6-20/h2-10,17-18,21,24H,11-16H2,1H3,(H,30,33)
InChIKeyOKJCKBMARVPAAI-UHFFFAOYSA-N
XLogP4.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide (CID 91889503) is N-[1-(4-fluorophenyl)ethyl]-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-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is OKJCKBMARVPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-18(19-7-9-22(28)10-8-19)30-26(33)21-11-13-31(14-12-21)27(34)25-23-16-35-24(15-32(23)17-29-25)20-5-3-2-4-6-20/h2-10,17-18,21,24H,11-16H2,1H3,(H,30,33).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).