5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

C28H25N5O3S — CID 46245209

IUPAC5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1
InChIInChI=1S/C28H25N5O3S/c1-18-24(32-26(36-18)20-7-3-2-4-8-20)25(34)30-22-10-6-5-9-21(22)27-31-23-15-19(16-29-28(23)37-27)17-33-11-13-35-14-12-33/h2-10,15-16H,11-14,17H2,1H3,(H,30,34)
InChIKeyAJNOXGGMZVOJDY-UHFFFAOYSA-N
MW511.61 g/mol
LogP5.41
Rot. Bonds6

About 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide

5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 46245209) has the molecular formula C28H25N5O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID46245209
Molecular FormulaC28H25N5O3S
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC Name5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1
InChIInChI=1S/C28H25N5O3S/c1-18-24(32-26(36-18)20-7-3-2-4-8-20)25(34)30-22-10-6-5-9-21(22)27-31-23-15-19(16-29-28(23)37-27)17-33-11-13-35-14-12-33/h2-10,15-16H,11-14,17H2,1H3,(H,30,34)
InChIKeyAJNOXGGMZVOJDY-UHFFFAOYSA-N
XLogP5.41
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 46245209) is 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1nc2cc(CN3CCOCC3)cnc2s1.
What is the InChIKey of 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is AJNOXGGMZVOJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S/c1-18-24(32-26(36-18)20-7-3-2-4-8-20)25(34)30-22-10-6-5-9-21(22)27-31-23-15-19(16-29-28(23)37-27)17-33-11-13-35-14-12-33/h2-10,15-16H,11-14,17H2,1H3,(H,30,34).
What are the key properties of 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 511.61 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).