N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

C14H16FN3O2S — CID 106922142

IUPACN-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCCC(=O)Nc2ccc(F)cc2N)n1
InChIInChI=1S/C14H16FN3O2S/c1-9-8-20-14(17-9)21-6-2-3-13(19)18-12-5-4-10(15)7-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19)
InChIKeyNJVVOFVCEAJVBJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide

N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (PubChem CID 106922142) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
PubChem CID106922142
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
SMILESCc1coc(SCCCC(=O)Nc2ccc(F)cc2N)n1
InChIInChI=1S/C14H16FN3O2S/c1-9-8-20-14(17-9)21-6-2-3-13(19)18-12-5-4-10(15)7-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19)
InChIKeyNJVVOFVCEAJVBJ-UHFFFAOYSA-N
XLogP3.22
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922124
N-(2-amino-4-fluorophenyl)-3-(5-methylpyrimidin-2-yl)sulfanylpropanamide
CID 61383083
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-(2-amino-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)sulfanylbutanamide
CID 61384713
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
CID 45255722
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide (CID 106922142) is N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is Cc1coc(SCCCC(=O)Nc2ccc(F)cc2N)n1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
The InChIKey is NJVVOFVCEAJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9-8-20-14(17-9)21-6-2-3-13(19)18-12-5-4-10(15)7-11(12)16/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide?
N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide has a molecular weight of 309.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 106922142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).