[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C23H27FN4O3 — CID 125128090

IUPAC[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H27FN4O3/c24-18-5-3-16(4-6-18)20-13-28-15-25-21(19(28)14-31-20)23(30)27-11-7-17(8-12-27)22(29)26-9-1-2-10-26/h3-6,15,17,20H,1-2,7-14H2/t20-/m1/s1
InChIKeyRRCHCHYJTVYBNL-HXUWFJFHSA-N
MW426.49 g/mol
LogP2.77
Rot. Bonds3

About [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 125128090) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID125128090
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H27FN4O3/c24-18-5-3-16(4-6-18)20-13-28-15-25-21(19(28)14-31-20)23(30)27-11-7-17(8-12-27)22(29)26-9-1-2-10-26/h3-6,15,17,20H,1-2,7-14H2/t20-/m1/s1
InChIKeyRRCHCHYJTVYBNL-HXUWFJFHSA-N
XLogP2.77
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 125128663
N-ethyl-1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125126661
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 91889541
1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 99744304
N-(3-fluorophenyl)-1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889662
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99744280
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 99744730
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 99744704
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 99756145
N-(2,4-dimethylphenyl)-1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99756147
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 125127707

Frequently Asked Questions

What is the IUPAC name of [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 125128090) is [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RRCHCHYJTVYBNL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-18-5-3-16(4-6-18)20-13-28-15-25-21(19(28)14-31-20)23(30)27-11-7-17(8-12-27)22(29)26-9-1-2-10-26/h3-6,15,17,20H,1-2,7-14H2/t20-/m1/s1.
What are the key properties of [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.49 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 125128090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).