N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide

C18H19N3O2 — CID 164531250

IUPACN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide
SMILESC#Cc1cc(C(=O)Nc2cn3c(n2)COCC3(C)C)ccc1C
InChIInChI=1S/C18H19N3O2/c1-5-13-8-14(7-6-12(13)2)17(22)20-15-9-21-16(19-15)10-23-11-18(21,3)4/h1,6-9H,10-11H2,2-4H3,(H,20,22)
InChIKeyCNVRSIYGUZCUHX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds2

About N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide

N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide (PubChem CID 164531250) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide
PubChem CID164531250
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide
SMILESC#Cc1cc(C(=O)Nc2cn3c(n2)COCC3(C)C)ccc1C
InChIInChI=1S/C18H19N3O2/c1-5-13-8-14(7-6-12(13)2)17(22)20-15-9-21-16(19-15)10-23-11-18(21,3)4/h1,6-9H,10-11H2,2-4H3,(H,20,22)
InChIKeyCNVRSIYGUZCUHX-UHFFFAOYSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-4-methyl-3-[2-tri(propan-2-yl)silylethynyl]benzamide
CID 164531229
4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide
CID 155436101
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-ethynyl-4-methylbenzamide
CID 59495612
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878150
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 67997917
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
N-[4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-ethynyl-4-methylbenzamide
CID 86632313
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide?
The IUPAC name of N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide (CID 164531250) is N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide.
What is the SMILES notation for N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide?
The canonical SMILES for N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide is C#Cc1cc(C(=O)Nc2cn3c(n2)COCC3(C)C)ccc1C.
What is the InChIKey of N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide?
The InChIKey is CNVRSIYGUZCUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-5-13-8-14(7-6-12(13)2)17(22)20-15-9-21-16(19-15)10-23-11-18(21,3)4/h1,6-9H,10-11H2,2-4H3,(H,20,22).
What are the key properties of N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide?
N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-3-ethynyl-4-methylbenzamide is sourced from PubChem (CID 164531250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).