N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide

C18H16N2O3 — CID 16949912

IUPACN-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-15-9-7-14(8-10-15)16-12-20-18(23-16)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyUNCYCZIYXHBDTR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.28
Rot. Bonds5

About N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide

N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 16949912) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
PubChem CID16949912
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-15-9-7-14(8-10-15)16-12-20-18(23-16)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyUNCYCZIYXHBDTR-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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
N-benzyl-7-methoxyquinazoline-2-carboxamide
CID 14528211
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 50773707
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 16949896
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide (CID 16949912) is N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide is COc1ccc(-c2cnc(C(=O)NCc3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is UNCYCZIYXHBDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-9-7-14(8-10-15)16-12-20-18(23-16)17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide?
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-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-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16949912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).