N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

C27H29FN4O4 — CID 91889692

IUPACN-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(C)c(F)c5)CC4)c3CO2)cc1
InChIInChI=1S/C27H29FN4O4/c1-17-3-6-20(13-22(17)28)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-4-7-21(35-2)8-5-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33)
InChIKeyBFGWFCNWFNFQLG-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.10
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (PubChem CID 91889692) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
PubChem CID91889692
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(C)c(F)c5)CC4)c3CO2)cc1
InChIInChI=1S/C27H29FN4O4/c1-17-3-6-20(13-22(17)28)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-4-7-21(35-2)8-5-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33)
InChIKeyBFGWFCNWFNFQLG-UHFFFAOYSA-N
XLogP4.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide (CID 91889692) is N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is COc1ccc(C2Cn3cnc(C(=O)N4CCC(C(=O)Nc5ccc(C)c(F)c5)CC4)c3CO2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is BFGWFCNWFNFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-17-3-6-20(13-22(17)28)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-4-7-21(35-2)8-5-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 91889692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).