N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide

C24H20N4O5 — CID 659077

IUPACN-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1OC
InChIInChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)
InChIKeyNVUSUAPXKVMTSH-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.69
Rot. Bonds5

About N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide

N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide (PubChem CID 659077) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide
PubChem CID659077
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC NameN-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1OC
InChIInChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)
InChIKeyNVUSUAPXKVMTSH-UHFFFAOYSA-N
XLogP3.69
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide?
The IUPAC name of N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide (CID 659077) is N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide.
What is the SMILES notation for N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide?
The canonical SMILES for N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide?
The InChIKey is NVUSUAPXKVMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-31-18-12-6-3-9-15(18)21(29)26-23(27-22(30)16-10-4-7-13-19(16)32-2)28-24-25-17-11-5-8-14-20(17)33-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30).
What are the key properties of N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide?
N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide has a molecular weight of 444.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(1,3-benzoxazol-2-yl)-N-(2-methoxybenzoyl)carbamimidoyl]-2-methoxybenzamide is sourced from PubChem (CID 659077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).