2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one

C20H19N3O2S — CID 76768675

IUPAC2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one
SMILESCC1(CC=Cc2ccccc2)SC(N2CCOc3cccnc32)=NC1=O
InChIInChI=1S/C20H19N3O2S/c1-20(11-5-9-15-7-3-2-4-8-15)18(24)22-19(26-20)23-13-14-25-16-10-6-12-21-17(16)23/h2-10,12H,11,13-14H2,1H3
InChIKeyYHNJWMPCQJSNEO-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.77
Rot. Bonds3

About 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one

2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one (PubChem CID 76768675) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one
PubChem CID76768675
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one
SMILESCC1(CC=Cc2ccccc2)SC(N2CCOc3cccnc32)=NC1=O
InChIInChI=1S/C20H19N3O2S/c1-20(11-5-9-15-7-3-2-4-8-15)18(24)22-19(26-20)23-13-14-25-16-10-6-12-21-17(16)23/h2-10,12H,11,13-14H2,1H3
InChIKeyYHNJWMPCQJSNEO-UHFFFAOYSA-N
XLogP3.77
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 53326305
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
CID 58346308
3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
CID 140592211
4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 3070862
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
CID 22177287
4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
CID 13212020
10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
CID 171148186
(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one
CID 101174341
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
4-(3-bromo-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 63190723
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one (CID 76768675) is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one is CC1(CC=Cc2ccccc2)SC(N2CCOc3cccnc32)=NC1=O.
What is the InChIKey of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one?
The InChIKey is YHNJWMPCQJSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-20(11-5-9-15-7-3-2-4-8-15)18(24)22-19(26-20)23-13-14-25-16-10-6-12-21-17(16)23/h2-10,12H,11,13-14H2,1H3.
What are the key properties of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one?
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one is sourced from PubChem (CID 76768675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).