7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one

C26H29N3O6 — CID 134565553

IUPAC7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCOc1ccccc1[C@H](Cc1cn(C(C)(C)C(C)=O)c(=O)c2oc(-c3ncco3)nc12)OC(C)C
InChIInChI=1S/C26H29N3O6/c1-15(2)34-20(18-9-7-8-10-19(18)32-6)13-17-14-29(26(4,5)16(3)30)25(31)22-21(17)28-24(35-22)23-27-11-12-33-23/h7-12,14-15,20H,13H2,1-6H3/t20-/m0/s1
InChIKeyYKHCLOJVHYKUKH-FQEVSTJZSA-N
MW479.53 g/mol
LogP4.69
Rot. Bonds9

About 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one

7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 134565553) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one
PubChem CID134565553
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCOc1ccccc1[C@H](Cc1cn(C(C)(C)C(C)=O)c(=O)c2oc(-c3ncco3)nc12)OC(C)C
InChIInChI=1S/C26H29N3O6/c1-15(2)34-20(18-9-7-8-10-19(18)32-6)13-17-14-29(26(4,5)16(3)30)25(31)22-21(17)28-24(35-22)23-27-11-12-33-23/h7-12,14-15,20H,13H2,1-6H3/t20-/m0/s1
InChIKeyYKHCLOJVHYKUKH-FQEVSTJZSA-N
XLogP4.69
TPSA109.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one with MolForge

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Related Compounds

7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-2,3-dimethyl-5-(2-methyl-3-oxobutan-2-yl)thieno[3,2-c]pyridin-4-one
CID 134565560
2-[3-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-7-methyl-8-(1,3-oxazol-2-yl)-2,6-dioxopurin-1-yl]-2-methylpropanoic acid
CID 121286750
2-[7-[2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-4-oxo-[1,3]thiazolo[4,5-c]pyridin-5-yl]-2-methylpropanoic acid
CID 123798146
2-[7-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]-2-methylpropanoic acid
CID 121286723
6-bromo-7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-3-methyl-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)thieno[3,2-c]pyridin-4-one;bis(7-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-5-(2-oxopropyl)thieno[3,2-c]pyridin-4-one);3-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-7-methyl-1-(2-methyl-3-oxobutan-2-yl)-8-(1,3-oxazol-2-yl)purine-2,6-dione
CID 158698682
1-[(2R)-2-(2-methoxyphenyl)-2-[[(1S,5R)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]ethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 156638315
2-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxofuro[3,2-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 169443402
2-[8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-2-(1,3-oxazol-2-yl)-5-oxo-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyridin-6-yl]-2-methylpropanoic acid
CID 86294079
2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide
CID 86294080
tert-butyl 2-[7-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]acetate
CID 121286762
8-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-6-[2-(1,3-oxazol-2-yl)ethyl]-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 121289021
1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129230510

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The IUPAC name of 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one (CID 134565553) is 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one is COc1ccccc1[C@H](Cc1cn(C(C)(C)C(C)=O)c(=O)c2oc(-c3ncco3)nc12)OC(C)C.
What is the InChIKey of 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The InChIKey is YKHCLOJVHYKUKH-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-15(2)34-20(18-9-7-8-10-19(18)32-6)13-17-14-29(26(4,5)16(3)30)25(31)22-21(17)28-24(35-22)23-27-11-12-33-23/h7-12,14-15,20H,13H2,1-6H3/t20-/m0/s1.
What are the key properties of 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one has a molecular weight of 479.53 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 134565553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).