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

C17H21N5O4 — CID 131640794

IUPACN,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1
InChIInChI=1S/C17H21N5O4/c1-20(2)14(23)13-11-22-10-7-18-16(22)17(25-13)4-8-21(9-5-17)15(24)12-3-6-19-26-12/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3
InChIKeyVOWVARQZJSMPEC-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.49
Rot. Bonds2

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

N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 131640794) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID131640794
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1
InChIInChI=1S/C17H21N5O4/c1-20(2)14(23)13-11-22-10-7-18-16(22)17(25-13)4-8-21(9-5-17)15(24)12-3-6-19-26-12/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3
InChIKeyVOWVARQZJSMPEC-UHFFFAOYSA-N
XLogP0.49
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 131640794) is N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CN(C)C(=O)C1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1.
What is the InChIKey of N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is VOWVARQZJSMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-20(2)14(23)13-11-22-10-7-18-16(22)17(25-13)4-8-21(9-5-17)15(24)12-3-6-19-26-12/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 131640794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).