3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide

C22H15N3O3 — CID 651807

IUPAC3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12
InChIInChI=1S/C22H15N3O3/c1-13-16-6-2-3-7-18(16)27-20(13)21(26)24-15-8-9-19-17(11-15)25-22(28-19)14-5-4-10-23-12-14/h2-12H,1H3,(H,24,26)
InChIKeyBMYZTNBGRQWJGD-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.20
Rot. Bonds3

About 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 651807) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID651807
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12
InChIInChI=1S/C22H15N3O3/c1-13-16-6-2-3-7-18(16)27-20(13)21(26)24-15-8-9-19-17(11-15)25-22(28-19)14-5-4-10-23-12-14/h2-12H,1H3,(H,24,26)
InChIKeyBMYZTNBGRQWJGD-UHFFFAOYSA-N
XLogP5.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide (CID 651807) is 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is BMYZTNBGRQWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3/c1-13-16-6-2-3-7-18(16)27-20(13)21(26)24-15-8-9-19-17(11-15)25-22(28-19)14-5-4-10-23-12-14/h2-12H,1H3,(H,24,26).
What are the key properties of 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 651807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).