3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide

C17H19N3O4 — CID 97446405

IUPAC3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
SMILESCCc1nc(-c2noc3ccc(C(=O)N(C)CCOC)cc23)co1
InChIInChI=1S/C17H19N3O4/c1-4-15-18-13(10-23-15)16-12-9-11(5-6-14(12)24-19-16)17(21)20(2)7-8-22-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyZKDWXBLKDSBBMX-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide

3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide (PubChem CID 97446405) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
PubChem CID97446405
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
SMILESCCc1nc(-c2noc3ccc(C(=O)N(C)CCOC)cc23)co1
InChIInChI=1S/C17H19N3O4/c1-4-15-18-13(10-23-15)16-12-9-11(5-6-14(12)24-19-16)17(21)20(2)7-8-22-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyZKDWXBLKDSBBMX-UHFFFAOYSA-N
XLogP2.76
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide (CID 97446405) is 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide is CCc1nc(-c2noc3ccc(C(=O)N(C)CCOC)cc23)co1.
What is the InChIKey of 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide?
The InChIKey is ZKDWXBLKDSBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-15-18-13(10-23-15)16-12-9-11(5-6-14(12)24-19-16)17(21)20(2)7-8-22-3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide?
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).