4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide

C17H23N3O2 — CID 119335443

IUPAC4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCC(CC)c1cc(CNC(=O)c2ccc(CN)cc2)on1
InChIInChI=1S/C17H23N3O2/c1-3-13(4-2)16-9-15(22-20-16)11-19-17(21)14-7-5-12(10-18)6-8-14/h5-9,13H,3-4,10-11,18H2,1-2H3,(H,19,21)
InChIKeyQMDDRINLPGWHJY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.97
Rot. Bonds7

About 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide

4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 119335443) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID119335443
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCC(CC)c1cc(CNC(=O)c2ccc(CN)cc2)on1
InChIInChI=1S/C17H23N3O2/c1-3-13(4-2)16-9-15(22-20-16)11-19-17(21)14-7-5-12(10-18)6-8-14/h5-9,13H,3-4,10-11,18H2,1-2H3,(H,19,21)
InChIKeyQMDDRINLPGWHJY-UHFFFAOYSA-N
XLogP2.97
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]benzamide
CID 111676154
4-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111675902
1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
4-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]benzamide
CID 111674790
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631
N,N-dimethyl-4-[[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111675929
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
3-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]-N-propylbenzamide
CID 111676566
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
CID 71997313
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide (CID 119335443) is 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide is CCC(CC)c1cc(CNC(=O)c2ccc(CN)cc2)on1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is QMDDRINLPGWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-13(4-2)16-9-15(22-20-16)11-19-17(21)14-7-5-12(10-18)6-8-14/h5-9,13H,3-4,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide?
4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 119335443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).