N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C18H16N2O5 — CID 110796294

IUPACN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H16N2O5/c1-20-13-4-2-11(8-15(13)25-18(20)22)6-7-19-17(21)12-3-5-14-16(9-12)24-10-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)
InChIKeyOWIZBUIZTZQPRU-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110796294) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110796294
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCn1c(=O)oc2cc(CCNC(=O)c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H16N2O5/c1-20-13-4-2-11(8-15(13)25-18(20)22)6-7-19-17(21)12-3-5-14-16(9-12)24-10-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)
InChIKeyOWIZBUIZTZQPRU-UHFFFAOYSA-N
XLogP1.83
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792162
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
CID 110792165
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 110796294) is N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cn1c(=O)oc2cc(CCNC(=O)c3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OWIZBUIZTZQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-20-13-4-2-11(8-15(13)25-18(20)22)6-7-19-17(21)12-3-5-14-16(9-12)24-10-23-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110796294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).