(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone

C17H20N4O3 — CID 128987720

IUPAC(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C17H20N4O3/c1-11-3-4-13-16(19-11)24-10-8-21(13)17(22)12-5-9-23-14(12)15-18-6-7-20(15)2/h3-4,6-7,12,14H,5,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyIGTVKXASXNFELY-TZMCWYRMSA-N
MW328.37 g/mol
LogP1.63
Rot. Bonds2

About (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone

(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone (PubChem CID 128987720) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone
PubChem CID128987720
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)[C@@H]1CCO[C@H]1c1nccn1C
InChIInChI=1S/C17H20N4O3/c1-11-3-4-13-16(19-11)24-10-8-21(13)17(22)12-5-9-23-14(12)15-18-6-7-20(15)2/h3-4,6-7,12,14H,5,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyIGTVKXASXNFELY-TZMCWYRMSA-N
XLogP1.63
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone with MolForge

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Related Compounds

(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 128975674
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 128986567
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
(2R,3R)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128986472
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167843656
(2R,3R)-N-[(2-chlorophenyl)methyl]-N-methyl-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128975447
(2R,3R)-N-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128980221

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone (CID 128987720) is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone is Cc1ccc2c(n1)OCCN2C(=O)[C@@H]1CCO[C@H]1c1nccn1C.
What is the InChIKey of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone?
The InChIKey is IGTVKXASXNFELY-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-3-4-13-16(19-11)24-10-8-21(13)17(22)12-5-9-23-14(12)15-18-6-7-20(15)2/h3-4,6-7,12,14H,5,8-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone?
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanone is sourced from PubChem (CID 128987720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).