N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide

C16H16N2O3 — CID 24790522

IUPACN,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-14-13(8-10)11(2)15(21-14)16(19)18(3)9-12-6-7-20-17-12/h4-8H,9H2,1-3H3
InChIKeyWRBQJYVZZAZNRP-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.31
Rot. Bonds3

About N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide

N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 24790522) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID24790522
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-14-13(8-10)11(2)15(21-14)16(19)18(3)9-12-6-7-20-17-12/h4-8H,9H2,1-3H3
InChIKeyWRBQJYVZZAZNRP-UHFFFAOYSA-N
XLogP3.31
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 24790522) is N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1.
What is the InChIKey of N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is WRBQJYVZZAZNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-5-14-13(8-10)11(2)15(21-14)16(19)18(3)9-12-6-7-20-17-12/h4-8H,9H2,1-3H3.
What are the key properties of N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).