2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide

C17H13N3O4 — CID 45497837

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H13N3O4/c21-17(9-13-12-4-1-2-5-14(12)23-20-13)18-10-11-8-16(24-19-11)15-6-3-7-22-15/h1-8H,9-10H2,(H,18,21)
InChIKeyVRMPXYBMWJTQKL-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.93
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 45497837) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID45497837
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H13N3O4/c21-17(9-13-12-4-1-2-5-14(12)23-20-13)18-10-11-8-16(24-19-11)15-6-3-7-22-15/h1-8H,9-10H2,(H,18,21)
InChIKeyVRMPXYBMWJTQKL-UHFFFAOYSA-N
XLogP2.93
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
2-(1,2-benzoxazol-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263355
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30850555
2-(1,2-benzoxazol-3-yl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 72717405
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608053
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide (CID 45497837) is 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide is O=C(Cc1noc2ccccc12)NCc1cc(-c2ccco2)on1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is VRMPXYBMWJTQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(9-13-12-4-1-2-5-14(12)23-20-13)18-10-11-8-16(24-19-11)15-6-3-7-22-15/h1-8H,9-10H2,(H,18,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 323.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 45497837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).