4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide

C22H20N4O2 — CID 155436101

IUPAC4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide
SMILESCc1ccc(C(=O)Nc2cn3c(n2)COCC3C)cc1C#Cc1cccnc1
InChIInChI=1S/C22H20N4O2/c1-15-5-7-19(10-18(15)8-6-17-4-3-9-23-11-17)22(27)25-20-12-26-16(2)13-28-14-21(26)24-20/h3-5,7,9-12,16H,13-14H2,1-2H3,(H,25,27)
InChIKeyMINMQEQKPPMLKB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide

4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide (PubChem CID 155436101) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide
PubChem CID155436101
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide
SMILESCc1ccc(C(=O)Nc2cn3c(n2)COCC3C)cc1C#Cc1cccnc1
InChIInChI=1S/C22H20N4O2/c1-15-5-7-19(10-18(15)8-6-17-4-3-9-23-11-17)22(27)25-20-12-26-16(2)13-28-14-21(26)24-20/h3-5,7,9-12,16H,13-14H2,1-2H3,(H,25,27)
InChIKeyMINMQEQKPPMLKB-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide?
The IUPAC name of 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) is 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide is Cc1ccc(C(=O)Nc2cn3c(n2)COCC3C)cc1C#Cc1cccnc1.
What is the InChIKey of 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide?
The InChIKey is MINMQEQKPPMLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-5-7-19(10-18(15)8-6-17-4-3-9-23-11-17)22(27)25-20-12-26-16(2)13-28-14-21(26)24-20/h3-5,7,9-12,16H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide?
4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3-(2-pyridin-3-ylethynyl)benzamide is sourced from PubChem (CID 155436101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).