2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide

C14H17N3O3 — CID 81420752

IUPAC2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1onc(C)c1C
InChIInChI=1S/C14H17N3O3/c1-4-19-11-7-5-6-10(15)12(11)13(18)16-14-8(2)9(3)17-20-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyKNETVPHNYSVBRN-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide (PubChem CID 81420752) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
PubChem CID81420752
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1onc(C)c1C
InChIInChI=1S/C14H17N3O3/c1-4-19-11-7-5-6-10(15)12(11)13(18)16-14-8(2)9(3)17-20-14/h5-7H,4,15H2,1-3H3,(H,16,18)
InChIKeyKNETVPHNYSVBRN-UHFFFAOYSA-N
XLogP2.52
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide (CID 81420752) is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1onc(C)c1C.
What is the InChIKey of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide?
The InChIKey is KNETVPHNYSVBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-19-11-7-5-6-10(15)12(11)13(18)16-14-8(2)9(3)17-20-14/h5-7H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide?
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide is sourced from PubChem (CID 81420752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).