2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide

C15H19N3O2 — CID 106368778

IUPAC2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)c2cccc(N)c2)oc1C
InChIInChI=1S/C15H19N3O2/c1-9(12-5-4-6-13(16)7-12)15(19)17-8-14-18-10(2)11(3)20-14/h4-7,9H,8,16H2,1-3H3,(H,17,19)
InChIKeyPGTZUELSQJBVDC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide

2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106368778) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106368778
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)c2cccc(N)c2)oc1C
InChIInChI=1S/C15H19N3O2/c1-9(12-5-4-6-13(16)7-12)15(19)17-8-14-18-10(2)11(3)20-14/h4-7,9H,8,16H2,1-3H3,(H,17,19)
InChIKeyPGTZUELSQJBVDC-UHFFFAOYSA-N
XLogP2.29
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
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-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 106591515
2-(3-aminophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 106591306
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106368778) is 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)c2cccc(N)c2)oc1C.
What is the InChIKey of 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is PGTZUELSQJBVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(12-5-4-6-13(16)7-12)15(19)17-8-14-18-10(2)11(3)20-14/h4-7,9H,8,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide?
2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106368778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).