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

C13H14N2O2S — CID 45284604

IUPACN-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2ccccc2)on1
InChIInChI=1S/C13H14N2O2S/c1-10-9-13(17-15-10)14-12(16)7-8-18-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeySEVKYUXHQVUJJK-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds5

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

N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide (PubChem CID 45284604) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
PubChem CID45284604
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2ccccc2)on1
InChIInChI=1S/C13H14N2O2S/c1-10-9-13(17-15-10)14-12(16)7-8-18-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeySEVKYUXHQVUJJK-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 47138005
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31691858
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide (CID 45284604) is N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide is Cc1cc(NC(=O)CCSc2ccccc2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide?
The InChIKey is SEVKYUXHQVUJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-9-13(17-15-10)14-12(16)7-8-18-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide?
N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide has a molecular weight of 262.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 45284604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).