3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C17H22N2O5 — CID 670757

IUPAC3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC
InChIInChI=1S/C17H22N2O5/c1-5-21-13-9-12(10-14(22-6-2)16(13)23-7-3)17(20)18-15-8-11(4)24-19-15/h8-10H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyRXNSMXYTCHNIAP-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.43
Rot. Bonds8

About 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 670757) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID670757
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC
InChIInChI=1S/C17H22N2O5/c1-5-21-13-9-12(10-14(22-6-2)16(13)23-7-3)17(20)18-15-8-11(4)24-19-15/h8-10H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyRXNSMXYTCHNIAP-UHFFFAOYSA-N
XLogP3.43
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 670757) is 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is RXNSMXYTCHNIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-5-21-13-9-12(10-14(22-6-2)16(13)23-7-3)17(20)18-15-8-11(4)24-19-15/h8-10H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 334.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).