N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C21H19N3O5 — CID 56705738

IUPACN-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)Cc3nc4ccccc4o3)no2)c1
InChIInChI=1S/C21H19N3O5/c1-24(12-20-22-17-8-3-4-9-19(17)28-20)21(25)18-11-16(29-23-18)13-27-15-7-5-6-14(10-15)26-2/h3-11H,12-13H2,1-2H3
InChIKeyRUOJWEUWBRIIBG-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.68
Rot. Bonds7

About N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56705738) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID56705738
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)Cc3nc4ccccc4o3)no2)c1
InChIInChI=1S/C21H19N3O5/c1-24(12-20-22-17-8-3-4-9-19(17)28-20)21(25)18-11-16(29-23-18)13-27-15-7-5-6-14(10-15)26-2/h3-11H,12-13H2,1-2H3
InChIKeyRUOJWEUWBRIIBG-UHFFFAOYSA-N
XLogP3.68
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 56705738) is N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)N(C)Cc3nc4ccccc4o3)no2)c1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RUOJWEUWBRIIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-24(12-20-22-17-8-3-4-9-19(17)28-20)21(25)18-11-16(29-23-18)13-27-15-7-5-6-14(10-15)26-2/h3-11H,12-13H2,1-2H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-5-[(3-methoxyphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56705738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).