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

C12H14N4O2 — CID 114180884

IUPAC3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCc1cnc(CNc2c(N)cccc2C(N)=O)o1
InChIInChI=1S/C12H14N4O2/c1-7-5-15-10(18-7)6-16-11-8(12(14)17)3-2-4-9(11)13/h2-5,16H,6,13H2,1H3,(H2,14,17)
InChIKeyAOUYCCAGRYYFMJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.28
Rot. Bonds4

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

3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide (PubChem CID 114180884) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
PubChem CID114180884
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
SMILESCc1cnc(CNc2c(N)cccc2C(N)=O)o1
InChIInChI=1S/C12H14N4O2/c1-7-5-15-10(18-7)6-16-11-8(12(14)17)3-2-4-9(11)13/h2-5,16H,6,13H2,1H3,(H2,14,17)
InChIKeyAOUYCCAGRYYFMJ-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-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 112578680
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 113463209
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]isoquinoline-4-carboxylic acid
CID 106373085
4-[(5-methyl-1,3-oxazol-2-yl)methylamino]naphthalene-1-carbothioamide
CID 106372530
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
2-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106377528
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The IUPAC name of 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide (CID 114180884) is 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide is Cc1cnc(CNc2c(N)cccc2C(N)=O)o1.
What is the InChIKey of 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
The InChIKey is AOUYCCAGRYYFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-15-10(18-7)6-16-11-8(12(14)17)3-2-4-9(11)13/h2-5,16H,6,13H2,1H3,(H2,14,17).
What are the key properties of 3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide?
3-amino-2-[(5-methyl-1,3-oxazol-2-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-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 114180884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).