2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C22H23F2N5O4 — CID 151989859

IUPAC2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCn1cc(-c2ccc3c(c2)C[C@@H](NC(=O)c2cc4n(n2)CC(CCOC(F)F)O4)CO3)cn1
InChIInChI=1S/C22H23F2N5O4/c1-28-10-15(9-25-28)13-2-3-19-14(6-13)7-16(12-32-19)26-21(30)18-8-20-29(27-18)11-17(33-20)4-5-31-22(23)24/h2-3,6,8-10,16-17,22H,4-5,7,11-12H2,1H3,(H,26,30)/t16-,17?/m1/s1
InChIKeyUELANIFJZBLBSJ-TZHYSIJRSA-N
MW459.45 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 151989859) has the molecular formula C22H23F2N5O4 and a molecular weight of 459.45 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID151989859
Molecular FormulaC22H23F2N5O4
Molecular Weight459.45 g/mol
Exact Mass459.17
IUPAC Name2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCn1cc(-c2ccc3c(c2)C[C@@H](NC(=O)c2cc4n(n2)CC(CCOC(F)F)O4)CO3)cn1
InChIInChI=1S/C22H23F2N5O4/c1-28-10-15(9-25-28)13-2-3-19-14(6-13)7-16(12-32-19)26-21(30)18-8-20-29(27-18)11-17(33-20)4-5-31-22(23)24/h2-3,6,8-10,16-17,22H,4-5,7,11-12H2,1H3,(H,26,30)/t16-,17?/m1/s1
InChIKeyUELANIFJZBLBSJ-TZHYSIJRSA-N
XLogP2.41
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 151989859) is 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cn1cc(-c2ccc3c(c2)C[C@@H](NC(=O)c2cc4n(n2)CC(CCOC(F)F)O4)CO3)cn1.
What is the InChIKey of 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is UELANIFJZBLBSJ-TZHYSIJRSA-N. The full InChI is InChI=1S/C22H23F2N5O4/c1-28-10-15(9-25-28)13-2-3-19-14(6-13)7-16(12-32-19)26-21(30)18-8-20-29(27-18)11-17(33-20)4-5-31-22(23)24/h2-3,6,8-10,16-17,22H,4-5,7,11-12H2,1H3,(H,26,30)/t16-,17?/m1/s1.
What are the key properties of 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethyl]-N-[(3R)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 151989859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).