2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C18H14N4O4 — CID 110608142

IUPAC2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCc1ccccc1-c1noc(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1
InChIInChI=1S/C18H14N4O4/c1-10-4-2-3-5-12(10)17-21-16(26-22-17)9-15(23)19-11-6-7-13-14(8-11)25-18(24)20-13/h2-8H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyNQFOAXWXXQKCRG-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 110608142) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID110608142
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESCc1ccccc1-c1noc(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1
InChIInChI=1S/C18H14N4O4/c1-10-4-2-3-5-12(10)17-21-16(26-22-17)9-15(23)19-11-6-7-13-14(8-11)25-18(24)20-13/h2-8H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyNQFOAXWXXQKCRG-UHFFFAOYSA-N
XLogP2.66
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110607909
N-(3,4-dimethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110423166
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110608150
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110424869
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 110608142) is 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is Cc1ccccc1-c1noc(CC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is NQFOAXWXXQKCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-10-4-2-3-5-12(10)17-21-16(26-22-17)9-15(23)19-11-6-7-13-14(8-11)25-18(24)20-13/h2-8H,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 350.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 110608142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).