3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C17H11F3N4O3 — CID 142412652

IUPAC3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10/h1-8H,9H2,(H,21,22)
InChIKeyGOFBPYKDSKTLQQ-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.33
Rot. Bonds4

About 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 142412652) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID142412652
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC Name3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10/h1-8H,9H2,(H,21,22)
InChIKeyGOFBPYKDSKTLQQ-UHFFFAOYSA-N
XLogP3.33
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 142412652) is 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is GOFBPYKDSKTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10/h1-8H,9H2,(H,21,22).
What are the key properties of 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 376.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142412652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).