2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole

C18H12ClN3OS — CID 33363185

IUPAC2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2nc(CSc3nncc4ccccc34)co2)c1
InChIInChI=1S/C18H12ClN3OS/c19-14-6-3-5-12(8-14)17-21-15(10-23-17)11-24-18-16-7-2-1-4-13(16)9-20-22-18/h1-10H,11H2
InChIKeyMXEPJFPORFVAQM-UHFFFAOYSA-N
MW353.83 g/mol
LogP5.23
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole

2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 33363185) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole
PubChem CID33363185
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole
SMILESClc1cccc(-c2nc(CSc3nncc4ccccc34)co2)c1
InChIInChI=1S/C18H12ClN3OS/c19-14-6-3-5-12(8-14)17-21-15(10-23-17)11-24-18-16-7-2-1-4-13(16)9-20-22-18/h1-10H,11H2
InChIKeyMXEPJFPORFVAQM-UHFFFAOYSA-N
XLogP5.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.83
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 33276621
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 33275835
5-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 33347592
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 33278855
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 33289299
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593533
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 33275540
4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-chlorophenyl)-1,3-oxazole
CID 33294382
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 46593592
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
2-(3-chlorophenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 46593562

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole (CID 33363185) is 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole is Clc1cccc(-c2nc(CSc3nncc4ccccc34)co2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is MXEPJFPORFVAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-14-6-3-5-12(8-14)17-21-15(10-23-17)11-24-18-16-7-2-1-4-13(16)9-20-22-18/h1-10H,11H2.
What are the key properties of 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole?
2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 353.83 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(phthalazin-1-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 33363185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).