formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide

C18H14N4O6 — CID 163338003

IUPACformic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1oncc1-c1ccccn1.O=CO
InChIInChI=1S/C17H12N4O4.CH2O2/c22-15(10-21-13-6-1-2-7-14(13)24-17(21)23)20-16-11(9-19-25-16)12-5-3-4-8-18-12;2-1-3/h1-9H,10H2,(H,20,22);1H,(H,2,3)
InChIKeyLJONXWCERAVHCW-UHFFFAOYSA-N
MW382.33 g/mol
LogP1.98
Rot. Bonds4

About formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide

formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 163338003) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Nameformic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID163338003
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Nameformic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1oncc1-c1ccccn1.O=CO
InChIInChI=1S/C17H12N4O4.CH2O2/c22-15(10-21-13-6-1-2-7-14(13)24-17(21)23)20-16-11(9-19-25-16)12-5-3-4-8-18-12;2-1-3/h1-9H,10H2,(H,20,22);1H,(H,2,3)
InChIKeyLJONXWCERAVHCW-UHFFFAOYSA-N
XLogP1.98
TPSA140.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78827961
2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
CID 82357308
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55810195
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide (CID 163338003) is formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1oncc1-c1ccccn1.O=CO.
What is the InChIKey of formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is LJONXWCERAVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4.CH2O2/c22-15(10-21-13-6-1-2-7-14(13)24-17(21)23)20-16-11(9-19-25-16)12-5-3-4-8-18-12;2-1-3/h1-9H,10H2,(H,20,22);1H,(H,2,3).
What are the key properties of formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide?
formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 382.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 163338003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).