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

C13H15N3O2 — CID 65486415

IUPAC2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C13H15N3O2/c1-7-4-5-11(14)10(6-7)12(17)15-13-8(2)9(3)16-18-13/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyLEWWCOOREFHFSO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.43
Rot. Bonds2

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

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide (PubChem CID 65486415) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
PubChem CID65486415
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C13H15N3O2/c1-7-4-5-11(14)10(6-7)12(17)15-13-8(2)9(3)16-18-13/h4-6H,14H2,1-3H3,(H,15,17)
InChIKeyLEWWCOOREFHFSO-UHFFFAOYSA-N
XLogP2.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 114372486
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 65488511
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide (CID 65486415) is 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2onc(C)c2C)c1.
What is the InChIKey of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide?
The InChIKey is LEWWCOOREFHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-4-5-11(14)10(6-7)12(17)15-13-8(2)9(3)16-18-13/h4-6H,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide?
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide is sourced from PubChem (CID 65486415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).