N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H18N2O4 — CID 51261874

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-8-13(10-18(16)24-2)12-20-19(22)15-11-17(25-21-15)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyTURSXWXZJDGUSD-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.29
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 51261874) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID51261874
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-8-13(10-18(16)24-2)12-20-19(22)15-11-17(25-21-15)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyTURSXWXZJDGUSD-UHFFFAOYSA-N
XLogP3.29
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 5308138
N-[[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71733461
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
2-[[4-methoxy-3-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]phenyl]methyl]oxolane-2-carboxylic acid
CID 59712483
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 51261874) is N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is TURSXWXZJDGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-9-8-13(10-18(16)24-2)12-20-19(22)15-11-17(25-21-15)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51261874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).