2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

C15H17F2N3O2S — CID 3825691

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1
InChIInChI=1S/C15H17F2N3O2S/c1-23-5-4-12(18)15-20-13(8-22-15)14(21)19-7-9-2-3-10(16)11(17)6-9/h2-3,6,8,12H,4-5,7,18H2,1H3,(H,19,21)
InChIKeyUKPQXFWEQGJZEA-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.64
Rot. Bonds7

About 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3825691) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3825691
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1
InChIInChI=1S/C15H17F2N3O2S/c1-23-5-4-12(18)15-20-13(8-22-15)14(21)19-7-9-2-3-10(16)11(17)6-9/h2-3,6,8,12H,4-5,7,18H2,1H3,(H,19,21)
InChIKeyUKPQXFWEQGJZEA-UHFFFAOYSA-N
XLogP2.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 3813371
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
CID 3674792
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4680245
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3494554
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3825691) is 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is CSCCC(N)c1nc(C(=O)NCc2ccc(F)c(F)c2)co1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UKPQXFWEQGJZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-23-5-4-12(18)15-20-13(8-22-15)14(21)19-7-9-2-3-10(16)11(17)6-9/h2-3,6,8,12H,4-5,7,18H2,1H3,(H,19,21).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3825691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).