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

C27H39N3O2Si — CID 164531229

IUPACN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-4-methyl-3-[2-tri(propan-2-yl)silylethynyl]benzamide
SMILESCc1ccc(C(=O)Nc2cn3c(n2)COCC3(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H39N3O2Si/c1-18(2)33(19(3)4,20(5)6)13-12-22-14-23(11-10-21(22)7)26(31)29-24-15-30-25(28-24)16-32-17-27(30,8)9/h10-11,14-15,18-20H,16-17H2,1-9H3,(H,29,31)
InChIKeyDNRQHDJEJOJPBO-UHFFFAOYSA-N
MW465.71 g/mol
LogP6.28
Rot. Bonds5

About 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

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 (PubChem CID 164531229) has the molecular formula C27H39N3O2Si and a molecular weight of 465.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-4-methyl-3-[2-tri(propan-2-yl)silylethynyl]benzamide
PubChem CID164531229
Molecular FormulaC27H39N3O2Si
Molecular Weight465.71 g/mol
Exact Mass465.28
IUPAC NameN-(5,5-dimethyl-6,8-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-4-methyl-3-[2-tri(propan-2-yl)silylethynyl]benzamide
SMILESCc1ccc(C(=O)Nc2cn3c(n2)COCC3(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H39N3O2Si/c1-18(2)33(19(3)4,20(5)6)13-12-22-14-23(11-10-21(22)7)26(31)29-24-15-30-25(28-24)16-32-17-27(30,8)9/h10-11,14-15,18-20H,16-17H2,1-9H3,(H,29,31)
InChIKeyDNRQHDJEJOJPBO-UHFFFAOYSA-N
XLogP6.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 164531250
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
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[4-methyl-3-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 90468142
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
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
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 90468143
3-[2-[6-(cyclopropanecarbonylamino)-3-pyridinyl]ethynyl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 155207034
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386
3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83023741
3-(3-aminoprop-1-ynyl)-N-(2,3-dimethylbutyl)-4-methylbenzamide
CID 81475696
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 81459602

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)Nc2cn3c(n2)COCC3(C)C)cc1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is DNRQHDJEJOJPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2Si/c1-18(2)33(19(3)4,20(5)6)13-12-22-14-23(11-10-21(22)7)26(31)29-24-15-30-25(28-24)16-32-17-27(30,8)9/h10-11,14-15,18-20H,16-17H2,1-9H3,(H,29,31).
What are the key properties of 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?
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 has a molecular weight of 465.71 g/mol, XLogP of 6.28, 5 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)-4-methyl-3-[2-tri(propan-2-yl)silylethynyl]benzamide is sourced from PubChem (CID 164531229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).