[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone

C17H21N3O3 — CID 97013388

IUPAC[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
SMILESCOCc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)15-9-20(16-7-5-4-6-13(16)18-15)17(21)14-8-12(10-22-3)23-19-14/h4-8,11,15,18H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyTYVBNVPKQURAHF-HNNXBMFYSA-N
MW315.37 g/mol
LogP2.92
Rot. Bonds4

About [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone

[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone (PubChem CID 97013388) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
PubChem CID97013388
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone
SMILESCOCc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)15-9-20(16-7-5-4-6-13(16)18-15)17(21)14-8-12(10-22-3)23-19-14/h4-8,11,15,18H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyTYVBNVPKQURAHF-HNNXBMFYSA-N
XLogP2.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-difluorophenoxy)methyl]-N-[2-(1-piperidinyl)ethyl]-3-isoxazolecarboxamide
CID 24794141
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 2572735
5-methyl-N-(2-piperidinophenyl)-3-isoxazolecarboxamide
CID 2814234
4-(5-methylisoxazole-3-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 16864032
5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24817505
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 27959892
4-({5-[(2,4-Difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-3,3-dimethyl-2-piperazinone
CID 42095602
5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide
CID 96563639
8-Fluoro-4-[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 121532604
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
CID 66660874
N-(tetrahydropyran-4-ylmethyl)-5-(3-fluorobenzyloxymethyl)isoxazole-3-carboxamide
CID 118536697
N-(tetrahydropyran-4-ylmethyl)-5-(3-fluorophenoxymethyl)isoxazole-3-carboxamide
CID 118536819

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone (CID 97013388) is [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone is COCc1cc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)no1.
What is the InChIKey of [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
The InChIKey is TYVBNVPKQURAHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)15-9-20(16-7-5-4-6-13(16)18-15)17(21)14-8-12(10-22-3)23-19-14/h4-8,11,15,18H,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone?
[5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,2-oxazol-3-yl]-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]methanone is sourced from PubChem (CID 97013388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).