3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C16H20N2O4 — CID 47900987

IUPAC3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(C)on2)cc1OCC
InChIInChI=1S/C16H20N2O4/c1-4-20-14-7-6-12(9-15(14)21-5-2)16(19)17-10-13-8-11(3)22-18-13/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKeySCLKNKFCSRULRN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.71
Rot. Bonds7

About 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 47900987) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID47900987
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(C)on2)cc1OCC
InChIInChI=1S/C16H20N2O4/c1-4-20-14-7-6-12(9-15(14)21-5-2)16(19)17-10-13-8-11(3)22-18-13/h6-9H,4-5,10H2,1-3H3,(H,17,19)
InChIKeySCLKNKFCSRULRN-UHFFFAOYSA-N
XLogP2.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801
4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771163
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 47900987) is 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is CCOc1ccc(C(=O)NCc2cc(C)on2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is SCLKNKFCSRULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-20-14-7-6-12(9-15(14)21-5-2)16(19)17-10-13-8-11(3)22-18-13/h6-9H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47900987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).