N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide

C13H13Cl2N3O2S — CID 106921925

IUPACN-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
SMILESNc1cc(Cl)c(NC(=O)CCCSc2ncco2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2S/c14-9-6-8(16)7-10(15)12(9)18-11(19)2-1-5-21-13-17-3-4-20-13/h3-4,6-7H,1-2,5,16H2,(H,18,19)
InChIKeyHOWKQCNQPIDOHC-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.07
Rot. Bonds6

About N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide

N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide (PubChem CID 106921925) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
PubChem CID106921925
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
SMILESNc1cc(Cl)c(NC(=O)CCCSc2ncco2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O2S/c14-9-6-8(16)7-10(15)12(9)18-11(19)2-1-5-21-13-17-3-4-20-13/h3-4,6-7H,1-2,5,16H2,(H,18,19)
InChIKeyHOWKQCNQPIDOHC-UHFFFAOYSA-N
XLogP4.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.07
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-amino-2,6-dichlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255780
N-(4-amino-2,6-dichlorophenyl)-4-thiophen-2-ylsulfanylbutanamide
CID 29033230
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63380982
N-(4-amino-2,6-dichlorophenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384728
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
CID 106923563
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
4-[3-(1,3-oxazol-2-ylsulfanyl)propyl]aniline
CID 106924556
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide (CID 106921925) is N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide is Nc1cc(Cl)c(NC(=O)CCCSc2ncco2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide?
The InChIKey is HOWKQCNQPIDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c14-9-6-8(16)7-10(15)12(9)18-11(19)2-1-5-21-13-17-3-4-20-13/h3-4,6-7H,1-2,5,16H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide?
N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide has a molecular weight of 346.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide is sourced from PubChem (CID 106921925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).