N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

C22H16ClN3O4S — CID 16597617

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C22H16ClN3O4S/c23-15-4-1-13(2-5-15)19-10-24-21(30-19)8-7-20(27)26-22-25-16(11-31-22)14-3-6-17-18(9-14)29-12-28-17/h1-6,9-11H,7-8,12H2,(H,25,26,27)
InChIKeyCGXBFKCKNZKIFL-UHFFFAOYSA-N
MW453.91 g/mol
LogP5.42
Rot. Bonds6

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16597617) has the molecular formula C22H16ClN3O4S and a molecular weight of 453.91 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16597617
Molecular FormulaC22H16ClN3O4S
Molecular Weight453.91 g/mol
Exact Mass453.06
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C22H16ClN3O4S/c23-15-4-1-13(2-5-15)19-10-24-21(30-19)8-7-20(27)26-22-25-16(11-31-22)14-3-6-17-18(9-14)29-12-28-17/h1-6,9-11H,7-8,12H2,(H,25,26,27)
InChIKeyCGXBFKCKNZKIFL-UHFFFAOYSA-N
XLogP5.42
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide 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

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-methylimidazol-4-yl)propanamide
CID 99794755
4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119268544
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 18127703
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937145
2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 5162606
3-(4-acetyl-5-methylfuran-2-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 24506027
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide
CID 127255198
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
CID 30728939
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16592563
3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 18573175

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16597617) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is CGXBFKCKNZKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4S/c23-15-4-1-13(2-5-15)19-10-24-21(30-19)8-7-20(27)26-22-25-16(11-31-22)14-3-6-17-18(9-14)29-12-28-17/h1-6,9-11H,7-8,12H2,(H,25,26,27).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 453.91 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16597617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).