2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide

C18H16ClN3O2S — CID 51226891

IUPAC2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O2S/c19-13-7-5-12(6-8-13)15-9-22-18(24-15)10-21-14-3-1-2-4-16(14)25-11-17(20)23/h1-9,21H,10-11H2,(H2,20,23)
InChIKeyMIARUKYQBWYVFS-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.18
Rot. Bonds7

About 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide

2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide (PubChem CID 51226891) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
PubChem CID51226891
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O2S/c19-13-7-5-12(6-8-13)15-9-22-18(24-15)10-21-14-3-1-2-4-16(14)25-11-17(20)23/h1-9,21H,10-11H2,(H2,20,23)
InChIKeyMIARUKYQBWYVFS-UHFFFAOYSA-N
XLogP4.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
3-chloro-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyaniline
CID 86845217
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 134020114
2-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-N-propan-2-ylacetamide
CID 32998042
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 62747638
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 50773812

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide (CID 51226891) is 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide?
The InChIKey is MIARUKYQBWYVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-13-7-5-12(6-8-13)15-9-22-18(24-15)10-21-14-3-1-2-4-16(14)25-11-17(20)23/h1-9,21H,10-11H2,(H2,20,23).
What are the key properties of 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide?
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 51226891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).