N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C18H22N4O4 — CID 118743979

IUPACN-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccoc3C)CC2)O1
InChIInChI=1S/C18H22N4O4/c1-12-13(3-10-25-12)16(24)21-7-4-18(5-8-21)17-20-6-9-22(17)11-14(26-18)15(23)19-2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,19,23)
InChIKeyRIXZJRVDGQAJLO-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118743979) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118743979
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccoc3C)CC2)O1
InChIInChI=1S/C18H22N4O4/c1-12-13(3-10-25-12)16(24)21-7-4-18(5-8-21)17-20-6-9-22(17)11-14(26-18)15(23)19-2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,19,23)
InChIKeyRIXZJRVDGQAJLO-UHFFFAOYSA-N
XLogP1.06
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118743979) is N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccoc3C)CC2)O1.
What is the InChIKey of N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is RIXZJRVDGQAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-13(3-10-25-12)16(24)21-7-4-18(5-8-21)17-20-6-9-22(17)11-14(26-18)15(23)19-2/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 118743979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).