N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H17N3O4S — CID 131915312

IUPACN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C20H17N3O4S/c1-26-16-8-4-2-6-14(16)19-22-11-13(28-19)10-21-18(24)12-23-15-7-3-5-9-17(15)27-20(23)25/h2-9,11H,10,12H2,1H3,(H,21,24)
InChIKeyBHRUUKDYBAEMMV-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.04
Rot. Bonds6

About N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 131915312) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID131915312
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C20H17N3O4S/c1-26-16-8-4-2-6-14(16)19-22-11-13(28-19)10-21-18(24)12-23-15-7-3-5-9-17(15)27-20(23)25/h2-9,11H,10,12H2,1H3,(H,21,24)
InChIKeyBHRUUKDYBAEMMV-UHFFFAOYSA-N
XLogP3.04
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
2-(3-fluoro-4-hydroxyphenyl)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 137345174
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
N-[5-(2,3-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 46951792
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 131891106
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8873157
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70754165
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 131915312) is N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccccc1-c1ncc(CNC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is BHRUUKDYBAEMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-26-16-8-4-2-6-14(16)19-22-11-13(28-19)10-21-18(24)12-23-15-7-3-5-9-17(15)27-20(23)25/h2-9,11H,10,12H2,1H3,(H,21,24).
What are the key properties of N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 395.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 131915312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).