N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C16H16F2N4O3 — CID 130380472

IUPACN-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2c(c1-c1ccnc(OC(F)F)c1)OCCC2
InChIInChI=1S/C16H16F2N4O3/c17-16(18)25-11-8-9(4-5-19-11)12-13(14(23)20-10-2-3-10)21-22-6-1-7-24-15(12)22/h4-5,8,10,16H,1-3,6-7H2,(H,20,23)
InChIKeyMYBATSJXBUMOOH-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 130380472) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID130380472
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CC1)c1nn2c(c1-c1ccnc(OC(F)F)c1)OCCC2
InChIInChI=1S/C16H16F2N4O3/c17-16(18)25-11-8-9(4-5-19-11)12-13(14(23)20-10-2-3-10)21-22-6-1-7-24-15(12)22/h4-5,8,10,16H,1-3,6-7H2,(H,20,23)
InChIKeyMYBATSJXBUMOOH-UHFFFAOYSA-N
XLogP2.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 130380472) is N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NC1CC1)c1nn2c(c1-c1ccnc(OC(F)F)c1)OCCC2.
What is the InChIKey of N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is MYBATSJXBUMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c17-16(18)25-11-8-9(4-5-19-11)12-13(14(23)20-10-2-3-10)21-22-6-1-7-24-15(12)22/h4-5,8,10,16H,1-3,6-7H2,(H,20,23).
What are the key properties of N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(difluoromethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 130380472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).