N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide

C17H12F3N3O2 — CID 30851446

IUPACN-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12)C1CC1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-8-12(9-4-2-1-3-5-9)21-16-13(11)14(23-25-16)22-15(24)10-6-7-10/h1-5,8,10H,6-7H2,(H,22,23,24)
InChIKeyMPAJLQMQYTTZSB-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.26
Rot. Bonds3

About N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide

N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 30851446) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID30851446
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12)C1CC1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-8-12(9-4-2-1-3-5-9)21-16-13(11)14(23-25-16)22-15(24)10-6-7-10/h1-5,8,10H,6-7H2,(H,22,23,24)
InChIKeyMPAJLQMQYTTZSB-UHFFFAOYSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[6-(4-phenylphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 44586802
N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 10214741
2-[2-oxo-5-phenyl-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 57374006
3-cyclopropyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091533
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
[3-amino-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]-(4-chlorophenyl)methanone
CID 11122582
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091098
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
6-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091558
3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341

Frequently Asked Questions

What is the IUPAC name of N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (CID 30851446) is N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is O=C(Nc1noc2nc(-c3ccccc3)cc(C(F)(F)F)c12)C1CC1.
What is the InChIKey of N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is MPAJLQMQYTTZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)11-8-12(9-4-2-1-3-5-9)21-16-13(11)14(23-25-16)22-15(24)10-6-7-10/h1-5,8,10H,6-7H2,(H,22,23,24).
What are the key properties of N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 347.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-phenyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 30851446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).