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

C14H18N4O2 — CID 107329579

IUPAC3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(CCNC(=O)CCc2ccccc2N)n1
InChIInChI=1S/C14H18N4O2/c1-10-17-14(20-18-10)8-9-16-13(19)7-6-11-4-2-3-5-12(11)15/h2-5H,6-9,15H2,1H3,(H,16,19)
InChIKeyBUIHQCKAOZKQJZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds6

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

3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 107329579) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID107329579
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(CCNC(=O)CCc2ccccc2N)n1
InChIInChI=1S/C14H18N4O2/c1-10-17-14(20-18-10)8-9-16-13(19)7-6-11-4-2-3-5-12(11)15/h2-5H,6-9,15H2,1H3,(H,16,19)
InChIKeyBUIHQCKAOZKQJZ-UHFFFAOYSA-N
XLogP1.25
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
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-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 107329579) is 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1noc(CCNC(=O)CCc2ccccc2N)n1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is BUIHQCKAOZKQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-17-14(20-18-10)8-9-16-13(19)7-6-11-4-2-3-5-12(11)15/h2-5H,6-9,15H2,1H3,(H,16,19).
What are the key properties of 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 107329579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).