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

C18H16N2O3 — CID 110681416

IUPACN-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3/c1-22-15-10-6-5-9-14(15)11-19-17(21)16-12-20-18(23-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyXUHOCFOLLMJRIS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.28
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 110681416) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID110681416
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3/c1-22-15-10-6-5-9-14(15)11-19-17(21)16-12-20-18(23-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyXUHOCFOLLMJRIS-UHFFFAOYSA-N
XLogP3.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681428
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-(5-benzylsulfanyl-6-methoxy-3-pyridinyl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 166748298

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 110681416) is N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(-c2ccccc2)o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is XUHOCFOLLMJRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-10-6-5-9-14(15)11-19-17(21)16-12-20-18(23-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110681416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).