2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H15F2N3O3 — CID 167414258

IUPAC2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(C(F)(F)COCC1CC1)O2
InChIInChI=1S/C12H15F2N3O3/c13-12(14,6-19-5-7-1-2-7)9-4-17-10(20-9)3-8(16-17)11(15)18/h3,7,9H,1-2,4-6H2,(H2,15,18)
InChIKeyIIVWXRMHTKKURJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167414258) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167414258
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(C(F)(F)COCC1CC1)O2
InChIInChI=1S/C12H15F2N3O3/c13-12(14,6-19-5-7-1-2-7)9-4-17-10(20-9)3-8(16-17)11(15)18/h3,7,9H,1-2,4-6H2,(H2,15,18)
InChIKeyIIVWXRMHTKKURJ-UHFFFAOYSA-N
XLogP0.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167414258) is 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is NC(=O)c1cc2n(n1)CC(C(F)(F)COCC1CC1)O2.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is IIVWXRMHTKKURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c13-12(14,6-19-5-7-1-2-7)9-4-17-10(20-9)3-8(16-17)11(15)18/h3,7,9H,1-2,4-6H2,(H2,15,18).
What are the key properties of 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-1,1-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).