3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide

C12H14N4O2 — CID 112578680

IUPAC3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCc1cc(CNc2c(N)cccc2C(N)=O)on1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(18-16-7)6-15-11-9(12(14)17)3-2-4-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17)
InChIKeyCYZXOOOKUARHSX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide

3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide (PubChem CID 112578680) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
PubChem CID112578680
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCc1cc(CNc2c(N)cccc2C(N)=O)on1
InChIInChI=1S/C12H14N4O2/c1-7-5-8(18-16-7)6-15-11-9(12(14)17)3-2-4-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17)
InChIKeyCYZXOOOKUARHSX-UHFFFAOYSA-N
XLogP1.28
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 114180884
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
3-amino-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
CID 112578662
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 90864078
4-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzoic acid
CID 55181754
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
4-bromo-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 65342229
ethyl 3-amino-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoate
CID 115934703

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide?
The IUPAC name of 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide (CID 112578680) is 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide is Cc1cc(CNc2c(N)cccc2C(N)=O)on1.
What is the InChIKey of 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide?
The InChIKey is CYZXOOOKUARHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-8(18-16-7)6-15-11-9(12(14)17)3-2-4-10(11)13/h2-5,15H,6,13H2,1H3,(H2,14,17).
What are the key properties of 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide?
3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 112578680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).