3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole

C17H14N4OS — CID 95214806

IUPAC3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole
SMILESC[C@@H](c1nccs1)n1ccnc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H14N4OS/c1-12(17-19-8-10-23-17)21-9-7-18-16(21)15-11-14(20-22-15)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m0/s1
InChIKeyYBMQTWYXAWOBGC-LBPRGKRZSA-N
MW322.39 g/mol
LogP4.27
Rot. Bonds4

About 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole

3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole (PubChem CID 95214806) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole
PubChem CID95214806
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole
SMILESC[C@@H](c1nccs1)n1ccnc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H14N4OS/c1-12(17-19-8-10-23-17)21-9-7-18-16(21)15-11-14(20-22-15)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m0/s1
InChIKeyYBMQTWYXAWOBGC-LBPRGKRZSA-N
XLogP4.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole 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 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole (CID 95214806) is 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole is C[C@@H](c1nccs1)n1ccnc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole?
The InChIKey is YBMQTWYXAWOBGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12(17-19-8-10-23-17)21-9-7-18-16(21)15-11-14(20-22-15)13-5-3-2-4-6-13/h2-12H,1H3/t12-/m0/s1.
What are the key properties of 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole?
3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imidazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 95214806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).