N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide

C26H20N2O3 — CID 1002986

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C
InChIInChI=1S/C26H20N2O3/c1-16-11-12-19(26-28-21-9-5-6-10-23(21)31-26)14-22(16)27-25(29)20-13-17-7-3-4-8-18(17)15-24(20)30-2/h3-15H,1-2H3,(H,27,29)
InChIKeyWMUJNTXMSHCOGT-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.22
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 1002986) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID1002986
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C
InChIInChI=1S/C26H20N2O3/c1-16-11-12-19(26-28-21-9-5-6-10-23(21)31-26)14-22(16)27-25(29)20-13-17-7-3-4-8-18(17)15-24(20)30-2/h3-15H,1-2H3,(H,27,29)
InChIKeyWMUJNTXMSHCOGT-UHFFFAOYSA-N
XLogP6.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide (CID 1002986) is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is WMUJNTXMSHCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-16-11-12-19(26-28-21-9-5-6-10-23(21)31-26)14-22(16)27-25(29)20-13-17-7-3-4-8-18(17)15-24(20)30-2/h3-15H,1-2H3,(H,27,29).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 1002986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).