6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H12F3N5O2S — CID 55718404

IUPAC6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C19H12F3N5O2S/c20-19(21,22)17-25-26-18(30-17)24-15(28)11-8-12(9-6-7-9)23-16-13(11)14(27-29-16)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,24,26,28)
InChIKeyCRSPNTQKCFKKOD-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.89
Rot. Bonds4

About 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55718404) has the molecular formula C19H12F3N5O2S and a molecular weight of 431.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55718404
Molecular FormulaC19H12F3N5O2S
Molecular Weight431.40 g/mol
Exact Mass431.07
IUPAC Name6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C19H12F3N5O2S/c20-19(21,22)17-25-26-18(30-17)24-15(28)11-8-12(9-6-7-9)23-16-13(11)14(27-29-16)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,24,26,28)
InChIKeyCRSPNTQKCFKKOD-UHFFFAOYSA-N
XLogP4.89
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide 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 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55718404) is 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CRSPNTQKCFKKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2S/c20-19(21,22)17-25-26-18(30-17)24-15(28)11-8-12(9-6-7-9)23-16-13(11)14(27-29-16)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,24,26,28).
What are the key properties of 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55718404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).