3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide

C13H15N3O2 — CID 106417982

IUPAC3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1ccno1
InChIInChI=1S/C13H15N3O2/c1-9-6-10(13(14)17)2-3-11(9)7-15-8-12-4-5-16-18-12/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyMHKPOUCTASICDE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds5

About 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide

3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide (PubChem CID 106417982) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
PubChem CID106417982
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1ccno1
InChIInChI=1S/C13H15N3O2/c1-9-6-10(13(14)17)2-3-11(9)7-15-8-12-4-5-16-18-12/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyMHKPOUCTASICDE-UHFFFAOYSA-N
XLogP1.37
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
4-fluoro-3-[(1,2-oxazol-5-ylmethylamino)methyl]benzoic acid
CID 106419858
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide (CID 106417982) is 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide is Cc1cc(C(N)=O)ccc1CNCc1ccno1.
What is the InChIKey of 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide?
The InChIKey is MHKPOUCTASICDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-6-10(13(14)17)2-3-11(9)7-15-8-12-4-5-16-18-12/h2-6,15H,7-8H2,1H3,(H2,14,17).
What are the key properties of 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide?
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 106417982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).