N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide

C13H15N3O2 — CID 144720042

IUPACN-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccccc2N)co1
InChIInChI=1S/C13H15N3O2/c1-9-15-10(8-18-9)6-7-13(17)16-12-5-3-2-4-11(12)14/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyILAXFSNWBPFYGY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds4

About N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide

N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide (PubChem CID 144720042) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
PubChem CID144720042
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccccc2N)co1
InChIInChI=1S/C13H15N3O2/c1-9-15-10(8-18-9)6-7-13(17)16-12-5-3-2-4-11(12)14/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyILAXFSNWBPFYGY-UHFFFAOYSA-N
XLogP2.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
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

ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide (CID 144720042) is N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide is Cc1nc(CCC(=O)Nc2ccccc2N)co1.
What is the InChIKey of N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The InChIKey is ILAXFSNWBPFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-15-10(8-18-9)6-7-13(17)16-12-5-3-2-4-11(12)14/h2-5,8H,6-7,14H2,1H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 144720042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).