[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C17H14F2N4O2 — CID 170502438

IUPAC[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C17H14F2N4O2/c18-15(19)11-8-12(22-21-11)17(24)23-7-6-14-13(9-23)20-16(25-14)10-4-2-1-3-5-10/h1-5,8,15H,6-7,9H2,(H,21,22)
InChIKeyRZMFEXHPWHOWOU-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.20
Rot. Bonds3

About [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170502438) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170502438
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(C(F)F)[nH]n1)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C17H14F2N4O2/c18-15(19)11-8-12(22-21-11)17(24)23-7-6-14-13(9-23)20-16(25-14)10-4-2-1-3-5-10/h1-5,8,15H,6-7,9H2,(H,21,22)
InChIKeyRZMFEXHPWHOWOU-UHFFFAOYSA-N
XLogP3.20
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170502438) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cc(C(F)F)[nH]n1)N1CCc2oc(-c3ccccc3)nc2C1.
What is the InChIKey of [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is RZMFEXHPWHOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-15(19)11-8-12(22-21-11)17(24)23-7-6-14-13(9-23)20-16(25-14)10-4-2-1-3-5-10/h1-5,8,15H,6-7,9H2,(H,21,22).
What are the key properties of [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 344.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1H-pyrazol-3-yl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170502438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).