N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide

C13H14N2O2S — CID 23914590

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)Sc2ccccc2)no1
InChIInChI=1S/C13H14N2O2S/c1-9-8-12(15-17-9)14-13(16)10(2)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyREUBBMXMMHRGPT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide (PubChem CID 23914590) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
PubChem CID23914590
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)Sc2ccccc2)no1
InChIInChI=1S/C13H14N2O2S/c1-9-8-12(15-17-9)14-13(16)10(2)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyREUBBMXMMHRGPT-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 71669849
(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
(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
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7464560
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18912780
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298748
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135677011
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726369
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8985952
(2R)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939506

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide (CID 23914590) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide is Cc1cc(NC(=O)C(C)Sc2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide?
The InChIKey is REUBBMXMMHRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-8-12(15-17-9)14-13(16)10(2)18-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide has a molecular weight of 262.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 23914590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).