1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C24H25FN4O4 — CID 91889538

IUPAC1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H25FN4O4/c25-18-5-3-16(4-6-18)21-13-29-15-27-22(20(29)14-33-21)24(31)28-9-7-17(8-10-28)23(30)26-12-19-2-1-11-32-19/h1-6,11,15,17,21H,7-10,12-14H2,(H,26,30)
InChIKeySCNURPWWLAJNOK-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.06
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 91889538) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID91889538
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H25FN4O4/c25-18-5-3-16(4-6-18)21-13-29-15-27-22(20(29)14-33-21)24(31)28-9-7-17(8-10-28)23(30)26-12-19-2-1-11-32-19/h1-6,11,15,17,21H,7-10,12-14H2,(H,26,30)
InChIKeySCNURPWWLAJNOK-UHFFFAOYSA-N
XLogP3.06
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 91889538) is 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2COC(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SCNURPWWLAJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c25-18-5-3-16(4-6-18)21-13-29-15-27-22(20(29)14-33-21)24(31)28-9-7-17(8-10-28)23(30)26-12-19-2-1-11-32-19/h1-6,11,15,17,21H,7-10,12-14H2,(H,26,30).
What are the key properties of 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).