3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

C15H14N4O2S — CID 29370697

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3nncs3)o2)cc1
InChIInChI=1S/C15H14N4O2S/c1-10-2-4-11(5-3-10)12-8-16-14(21-12)7-6-13(20)18-15-19-17-9-22-15/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyBYWPOCCWXBEBOJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.07
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 29370697) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID29370697
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3nncs3)o2)cc1
InChIInChI=1S/C15H14N4O2S/c1-10-2-4-11(5-3-10)12-8-16-14(21-12)7-6-13(20)18-15-19-17-9-22-15/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyBYWPOCCWXBEBOJ-UHFFFAOYSA-N
XLogP3.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24596759
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 55867560
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 47083852
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 649235
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 29370697) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3nncs3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BYWPOCCWXBEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-2-4-11(5-3-10)12-8-16-14(21-12)7-6-13(20)18-15-19-17-9-22-15/h2-5,8-9H,6-7H2,1H3,(H,18,19,20).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 29370697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).