N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H15F3N4O3 — CID 46487476

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12
InChIInChI=1S/C20H15F3N4O3/c1-10-17-14(7-15(11-2-3-11)26-19(17)30-27-10)18(28)25-13-4-5-16(12(6-13)8-24)29-9-20(21,22)23/h4-7,11H,2-3,9H2,1H3,(H,25,28)
InChIKeyZTXVJFCLKPVEKH-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.47
Rot. Bonds5

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46487476) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46487476
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12
InChIInChI=1S/C20H15F3N4O3/c1-10-17-14(7-15(11-2-3-11)26-19(17)30-27-10)18(28)25-13-4-5-16(12(6-13)8-24)29-9-20(21,22)23/h4-7,11H,2-3,9H2,1H3,(H,25,28)
InChIKeyZTXVJFCLKPVEKH-UHFFFAOYSA-N
XLogP4.47
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120605549
3-[4-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 119252104
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
6-cyclopropyl-3-methyl-N-(3-methylsulfanylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45494973
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46587247
3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4,5-dimethoxybenzoic acid
CID 119214141
6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 41191510
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2,2,2-trifluoroethoxy)benzonitrile
CID 47052792
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55710724
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
CID 55743956

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46487476) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)c12.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZTXVJFCLKPVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-10-17-14(7-15(11-2-3-11)26-19(17)30-27-10)18(28)25-13-4-5-16(12(6-13)8-24)29-9-20(21,22)23/h4-7,11H,2-3,9H2,1H3,(H,25,28).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46487476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).