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N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H19N7O2S — CID 55515234

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCn1ccnc1-c1sc(NC(=O)CCc2nc(-c3ccncc3)no2)nc1-c1ccccc1
InChIInChI=1S/C23H19N7O2S/c1-30-14-13-25-22(30)20-19(15-5-3-2-4-6-15)28-23(33-20)26-17(31)7-8-18-27-21(29-32-18)16-9-11-24-12-10-16/h2-6,9-14H,7-8H2,1H3,(H,26,28,31)
InChIKeyKPWSDPZHQVINHK-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.23
Rot. Bonds7

About N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55515234) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55515234
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCn1ccnc1-c1sc(NC(=O)CCc2nc(-c3ccncc3)no2)nc1-c1ccccc1
InChIInChI=1S/C23H19N7O2S/c1-30-14-13-25-22(30)20-19(15-5-3-2-4-6-15)28-23(33-20)26-17(31)7-8-18-27-21(29-32-18)16-9-11-24-12-10-16/h2-6,9-14H,7-8H2,1H3,(H,26,28,31)
InChIKeyKPWSDPZHQVINHK-UHFFFAOYSA-N
XLogP4.23
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55515234) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is Cn1ccnc1-c1sc(NC(=O)CCc2nc(-c3ccncc3)no2)nc1-c1ccccc1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KPWSDPZHQVINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c1-30-14-13-25-22(30)20-19(15-5-3-2-4-6-15)28-23(33-20)26-17(31)7-8-18-27-21(29-32-18)16-9-11-24-12-10-16/h2-6,9-14H,7-8H2,1H3,(H,26,28,31).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 457.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55515234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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