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

C30H31N3O6S — CID 121289021

IUPAC8-[(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
SMILESCOc1ccccc1[C@H](Cc1cc(CCc2ncco2)c(=O)n2c(C)c(-c3ncco3)sc12)OC1CCOCC1
InChIInChI=1S/C30H31N3O6S/c1-19-27(28-32-12-16-38-28)40-30-21(17-20(29(34)33(19)30)7-8-26-31-11-15-37-26)18-25(39-22-9-13-36-14-10-22)23-5-3-4-6-24(23)35-2/h3-6,11-12,15-17,22,25H,7-10,13-14,18H2,1-2H3/t25-/m0/s1
InChIKeyBNRZJWUTMYKLSS-VWLOTQADSA-N
MW561.66 g/mol
LogP5.59
Rot. Bonds10

About 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

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 (PubChem CID 121289021) has the molecular formula C30H31N3O6S and a molecular weight of 561.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[(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
PubChem CID121289021
Molecular FormulaC30H31N3O6S
Molecular Weight561.66 g/mol
Exact Mass561.19
IUPAC Name8-[(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
SMILESCOc1ccccc1[C@H](Cc1cc(CCc2ncco2)c(=O)n2c(C)c(-c3ncco3)sc12)OC1CCOCC1
InChIInChI=1S/C30H31N3O6S/c1-19-27(28-32-12-16-38-28)40-30-21(17-20(29(34)33(19)30)7-8-26-31-11-15-37-26)18-25(39-22-9-13-36-14-10-22)23-5-3-4-6-24(23)35-2/h3-6,11-12,15-17,22,25H,7-10,13-14,18H2,1-2H3/t25-/m0/s1
InChIKeyBNRZJWUTMYKLSS-VWLOTQADSA-N
XLogP5.59
TPSA101.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1[C@H](Cc1cc(CCc2ncco2)c(=O)n2c(C)c(-c3ncco3)sc12)OC1CCOCC1.
What is the InChIKey of 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?
The InChIKey is BNRZJWUTMYKLSS-VWLOTQADSA-N. The full InChI is InChI=1S/C30H31N3O6S/c1-19-27(28-32-12-16-38-28)40-30-21(17-20(29(34)33(19)30)7-8-26-31-11-15-37-26)18-25(39-22-9-13-36-14-10-22)23-5-3-4-6-24(23)35-2/h3-6,11-12,15-17,22,25H,7-10,13-14,18H2,1-2H3/t25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 561.66 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121289021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).