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

C13H16N4O2 — CID 106391286

IUPAC2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)c2cccc(N)c2)no1
InChIInChI=1S/C13H16N4O2/c1-8(10-4-3-5-11(14)6-10)13(18)15-7-12-16-9(2)19-17-12/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyYTXDGWSVVMZZFX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.38
Rot. Bonds4

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

2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 106391286) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID106391286
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)c2cccc(N)c2)no1
InChIInChI=1S/C13H16N4O2/c1-8(10-4-3-5-11(14)6-10)13(18)15-7-12-16-9(2)19-17-12/h3-6,8H,7,14H2,1-2H3,(H,15,18)
InChIKeyYTXDGWSVVMZZFX-UHFFFAOYSA-N
XLogP1.38
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368778
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 106391286) is 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)c2cccc(N)c2)no1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is YTXDGWSVVMZZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(10-4-3-5-11(14)6-10)13(18)15-7-12-16-9(2)19-17-12/h3-6,8H,7,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 106391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).