N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

C15H18N2O2S — CID 106390071

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESCc1cnc(C(C)NC(=O)C(S)Cc2ccccc2)o1
InChIInChI=1S/C15H18N2O2S/c1-10-9-16-15(19-10)11(2)17-14(18)13(20)8-12-6-4-3-5-7-12/h3-7,9,11,13,20H,8H2,1-2H3,(H,17,18)
InChIKeySOIJXARSRJIUPM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (PubChem CID 106390071) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
PubChem CID106390071
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
SMILESCc1cnc(C(C)NC(=O)C(S)Cc2ccccc2)o1
InChIInChI=1S/C15H18N2O2S/c1-10-9-16-15(19-10)11(2)17-14(18)13(20)8-12-6-4-3-5-7-12/h3-7,9,11,13,20H,8H2,1-2H3,(H,17,18)
InChIKeySOIJXARSRJIUPM-UHFFFAOYSA-N
XLogP2.70
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-phenylbutanamide
CID 106388377
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-phenylpropanamide
CID 106388389
2-anilino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388442
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
(2S,3S)-2-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 103951387
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide (CID 106390071) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is Cc1cnc(C(C)NC(=O)C(S)Cc2ccccc2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
The InChIKey is SOIJXARSRJIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-9-16-15(19-10)11(2)17-14(18)13(20)8-12-6-4-3-5-7-12/h3-7,9,11,13,20H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 106390071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).