N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C21H23F4N3O5 — CID 163805322

About N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 163805322) has the molecular formula C21H23F4N3O5 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 163805322
• Molecular Formula: C21H23F4N3O5
• Molecular Weight: 473.42 g/mol
• Exact Mass: 473.16
• IUPAC Name: N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: O=C(N[C@H]1COc2ccc(CCOC(F)F)cc2C1)c1cc2n(n1)CCC(COC(F)F)O2
• InChI: InChI=1S/C21H23F4N3O5/c22-20(23)30-6-4-12-1-2-17-13(7-12)8-14(10-31-17)26-19(29)16-9-18-28(27-16)5-3-15(33-18)11-32-21(24)25/h1-2,7,9,14-15,20-21H,3-6,8,10-11H2,(H,26,29)/t14-,15?/m1/s1
• InChIKey: NINPPYKBTJHWDX-GICMACPYSA-N
• XLogP: 2.79
• TPSA: 83.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 163805322) is N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(N[C@H]1COc2ccc(CCOC(F)F)cc2C1)c1cc2n(n1)CCC(COC(F)F)O2.

What is the InChIKey of N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is NINPPYKBTJHWDX-GICMACPYSA-N. The full InChI is InChI=1S/C21H23F4N3O5/c22-20(23)30-6-4-12-1-2-17-13(7-12)8-14(10-31-17)26-19(29)16-9-18-28(27-16)5-3-15(33-18)11-32-21(24)25/h1-2,7,9,14-15,20-21H,3-6,8,10-11H2,(H,26,29)/t14-,15?/m1/s1.

What are the key properties of N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-6-[2-(difluoromethoxy)ethyl]-3,4-dihydro-2H-chromen-3-yl]-5-(difluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 163805322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).