N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C19H16F3N3O2 — CID 59138762

IUPACN-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)cnc2o1
InChIInChI=1S/C19H16F3N3O2/c1-3-16-25-15-9-13(10-23-18(15)27-16)24-17(26)14-5-4-12(8-11(14)2)6-7-19(20,21)22/h4-10H,3H2,1-2H3,(H,24,26)/b7-6+
InChIKeyVVRDZTWPOSJGKO-VOTSOKGWSA-N
MW375.35 g/mol
LogP4.92
Rot. Bonds4

About N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 59138762) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID59138762
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCCc1nc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)cnc2o1
InChIInChI=1S/C19H16F3N3O2/c1-3-16-25-15-9-13(10-23-18(15)27-16)24-17(26)14-5-4-12(8-11(14)2)6-7-19(20,21)22/h4-10H,3H2,1-2H3,(H,24,26)/b7-6+
InChIKeyVVRDZTWPOSJGKO-VOTSOKGWSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 59138762) is N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is CCc1nc2cc(NC(=O)c3ccc(/C=C/C(F)(F)F)cc3C)cnc2o1.
What is the InChIKey of N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is VVRDZTWPOSJGKO-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-3-16-25-15-9-13(10-23-18(15)27-16)24-17(26)14-5-4-12(8-11(14)2)6-7-19(20,21)22/h4-10H,3H2,1-2H3,(H,24,26)/b7-6+.
What are the key properties of N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 375.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 59138762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).