N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C19H20N2O4 — CID 108794289

IUPACN-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2noc3cc(C)cc(C)c23)c1
InChIInChI=1S/C19H20N2O4/c1-11-7-12(2)19-15(21-25-17(19)8-11)10-18(22)20-14-9-13(23-3)5-6-16(14)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyTUNOCDKNDUSRHZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.64
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108794289) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108794289
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cc2noc3cc(C)cc(C)c23)c1
InChIInChI=1S/C19H20N2O4/c1-11-7-12(2)19-15(21-25-17(19)8-11)10-18(22)20-14-9-13(23-3)5-6-16(14)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyTUNOCDKNDUSRHZ-UHFFFAOYSA-N
XLogP3.64
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 82358201
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-(2,5-dimethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 23861831
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 108794428
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 108794350
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806013
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108805961
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108794289) is N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is COc1ccc(OC)c(NC(=O)Cc2noc3cc(C)cc(C)c23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is TUNOCDKNDUSRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-7-12(2)19-15(21-25-17(19)8-11)10-18(22)20-14-9-13(23-3)5-6-16(14)24-4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108794289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).