2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide

C21H19N3O4 — CID 72931105

IUPAC2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3coc(-c4ccccc4)n3)cc2o1
InChIInChI=1S/C21H19N3O4/c1-26-10-9-19-24-17-8-7-15(11-18(17)28-19)20(25)22-12-16-13-27-21(23-16)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,25)
InChIKeyXRVDRDUUAJAHAF-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.60
Rot. Bonds7

About 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 72931105) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID72931105
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3coc(-c4ccccc4)n3)cc2o1
InChIInChI=1S/C21H19N3O4/c1-26-10-9-19-24-17-8-7-15(11-18(17)28-19)20(25)22-12-16-13-27-21(23-16)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,25)
InChIKeyXRVDRDUUAJAHAF-UHFFFAOYSA-N
XLogP3.60
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 72931105) is 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)NCc3coc(-c4ccccc4)n3)cc2o1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is XRVDRDUUAJAHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-10-9-19-24-17-8-7-15(11-18(17)28-19)20(25)22-12-16-13-27-21(23-16)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,25).
What are the key properties of 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide?
2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 72931105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).