N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

C26H22N2O3 — CID 1333420

IUPACN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H22N2O3/c1-15(2)17-10-11-23-21(12-17)28-26(31-23)19-9-8-16(3)20(13-19)27-25(29)24-14-18-6-4-5-7-22(18)30-24/h4-15H,1-3H3,(H,27,29)
InChIKeyAVAMIFWRONKKKF-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.93
Rot. Bonds4

About N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1333420) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1333420
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C26H22N2O3/c1-15(2)17-10-11-23-21(12-17)28-26(31-23)19-9-8-16(3)20(13-19)27-25(29)24-14-18-6-4-5-7-22(18)30-24/h4-15H,1-3H3,(H,27,29)
InChIKeyAVAMIFWRONKKKF-UHFFFAOYSA-N
XLogP6.93
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 1333420) is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is AVAMIFWRONKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-15(2)17-10-11-23-21(12-17)28-26(31-23)19-9-8-16(3)20(13-19)27-25(29)24-14-18-6-4-5-7-22(18)30-24/h4-15H,1-3H3,(H,27,29).
What are the key properties of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1333420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).