2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

C19H15N3O3 — CID 90649694

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O3/c23-18(10-16-15-8-4-5-9-17(15)25-22-16)20-11-14-12-24-19(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)
InChIKeyVIKWBIPEQPWVIQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.34
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 90649694) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID90649694
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O3/c23-18(10-16-15-8-4-5-9-17(15)25-22-16)20-11-14-12-24-19(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23)
InChIKeyVIKWBIPEQPWVIQ-UHFFFAOYSA-N
XLogP3.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497837
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
2-(1,2-benzoxazol-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263355
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368
1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 100767874
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51488523

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide (CID 90649694) is 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide is O=C(Cc1noc2ccccc12)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is VIKWBIPEQPWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-18(10-16-15-8-4-5-9-17(15)25-22-16)20-11-14-12-24-19(21-14)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 90649694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).