2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H15N3O2S — CID 71669849

IUPAC2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2ccccc2N)no1
InChIInChI=1S/C13H15N3O2S/c1-8-7-12(16-18-8)15-13(17)9(2)19-11-6-4-3-5-10(11)14/h3-7,9H,14H2,1-2H3,(H,15,16,17)
InChIKeyPHWOECKRJCSESC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 71669849) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID71669849
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Sc2ccccc2N)no1
InChIInChI=1S/C13H15N3O2S/c1-8-7-12(16-18-8)15-13(17)9(2)19-11-6-4-3-5-10(11)14/h3-7,9H,14H2,1-2H3,(H,15,16,17)
InChIKeyPHWOECKRJCSESC-UHFFFAOYSA-N
XLogP2.68
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.68
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

N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8985952
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 23743258
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 82095645
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939506
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7464560
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135677011
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936856

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 71669849) is 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Sc2ccccc2N)no1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is PHWOECKRJCSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-7-12(16-18-8)15-13(17)9(2)19-11-6-4-3-5-10(11)14/h3-7,9H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 71669849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).