[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C19H16ClN3O2S — CID 97017480

IUPAC[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)15-9-16(25-22-15)19(24)23-8-7-14-12(10-23)11-3-1-2-4-13(11)21-14/h1-6,16,21H,7-10H2/t16-/m0/s1
InChIKeyMYIKRGBCLIHOBI-INIZCTEOSA-N
MW385.88 g/mol
LogP3.96
Rot. Bonds2

About [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 97017480) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID97017480
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)15-9-16(25-22-15)19(24)23-8-7-14-12(10-23)11-3-1-2-4-13(11)21-14/h1-6,16,21H,7-10H2/t16-/m0/s1
InChIKeyMYIKRGBCLIHOBI-INIZCTEOSA-N
XLogP3.96
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 97017480) is [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is MYIKRGBCLIHOBI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)15-9-16(25-22-15)19(24)23-8-7-14-12(10-23)11-3-1-2-4-13(11)21-14/h1-6,16,21H,7-10H2/t16-/m0/s1.
What are the key properties of [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
[(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 385.88 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 97017480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).