2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

C21H26N4O3S — CID 108746731

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)N(C)Cc3csc(CN4CCOCC4)n3)c2c1
InChIInChI=1S/C21H26N4O3S/c1-14-8-15(2)21-17(9-14)18(23-28-21)10-20(26)24(3)11-16-13-29-19(22-16)12-25-4-6-27-7-5-25/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyWGZROWZLSHUPHU-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.93
Rot. Bonds6

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 108746731) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID108746731
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCc1cc(C)c2onc(CC(=O)N(C)Cc3csc(CN4CCOCC4)n3)c2c1
InChIInChI=1S/C21H26N4O3S/c1-14-8-15(2)21-17(9-14)18(23-28-21)10-20(26)24(3)11-16-13-29-19(22-16)12-25-4-6-27-7-5-25/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyWGZROWZLSHUPHU-UHFFFAOYSA-N
XLogP2.93
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108768953
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768896

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (CID 108746731) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is Cc1cc(C)c2onc(CC(=O)N(C)Cc3csc(CN4CCOCC4)n3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is WGZROWZLSHUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-14-8-15(2)21-17(9-14)18(23-28-21)10-20(26)24(3)11-16-13-29-19(22-16)12-25-4-6-27-7-5-25/h8-9,13H,4-7,10-12H2,1-3H3.
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 108746731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).