N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C19H20N2O4 — CID 110390669

IUPACN-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C19H20N2O4/c1-12-20-15-10-13(4-7-18(15)25-12)5-9-19(22)21-16-11-14(23-2)6-8-17(16)24-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,22)
InChIKeyYHJSTGWORKMINP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.72
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390669) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390669
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C19H20N2O4/c1-12-20-15-10-13(4-7-18(15)25-12)5-9-19(22)21-16-11-14(23-2)6-8-17(16)24-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,22)
InChIKeyYHJSTGWORKMINP-UHFFFAOYSA-N
XLogP3.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679301
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390667
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474150
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390669) is N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is COc1ccc(OC)c(NC(=O)CCc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is YHJSTGWORKMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-20-15-10-13(4-7-18(15)25-12)5-9-19(22)21-16-11-14(23-2)6-8-17(16)24-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).