N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide

C21H19N3O3 — CID 70760489

IUPACN,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3cc(-c4ccccn4)no3)oc2c1
InChIInChI=1S/C21H19N3O3/c1-13-7-8-16-14(2)20(26-19(16)10-13)21(25)24(3)12-15-11-18(23-27-15)17-6-4-5-9-22-17/h4-11H,12H2,1-3H3
InChIKeySZSMASSXONXIIG-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.37
Rot. Bonds4

About N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide

N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 70760489) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID70760489
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(C)Cc3cc(-c4ccccn4)no3)oc2c1
InChIInChI=1S/C21H19N3O3/c1-13-7-8-16-14(2)20(26-19(16)10-13)21(25)24(3)12-15-11-18(23-27-15)17-6-4-5-9-22-17/h4-11H,12H2,1-3H3
InChIKeySZSMASSXONXIIG-UHFFFAOYSA-N
XLogP4.37
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 70760489) is N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(C)Cc3cc(-c4ccccn4)no3)oc2c1.
What is the InChIKey of N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SZSMASSXONXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-7-8-16-14(2)20(26-19(16)10-13)21(25)24(3)12-15-11-18(23-27-15)17-6-4-5-9-22-17/h4-11H,12H2,1-3H3.
What are the key properties of N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70760489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).