N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C11H10F2N2O4 — CID 103770495

IUPACN-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc(-c2ccco2)on1
InChIInChI=1S/C11H10F2N2O4/c12-10(13)7(16)5-14-11(17)6-4-9(19-15-6)8-2-1-3-18-8/h1-4,7,10,16H,5H2,(H,14,17)
InChIKeyBTNDCXHEYDBSJB-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.29
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 103770495) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID103770495
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc(-c2ccco2)on1
InChIInChI=1S/C11H10F2N2O4/c12-10(13)7(16)5-14-11(17)6-4-9(19-15-6)8-2-1-3-18-8/h1-4,7,10,16H,5H2,(H,14,17)
InChIKeyBTNDCXHEYDBSJB-UHFFFAOYSA-N
XLogP1.29
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110304153
N-(2-amino-2-ethylbutyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119643486
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 94022971
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61242942
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24739766
ethyl 2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 47257374
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 94219223

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 103770495) is N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NCC(O)C(F)F)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BTNDCXHEYDBSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c12-10(13)7(16)5-14-11(17)6-4-9(19-15-6)8-2-1-3-18-8/h1-4,7,10,16H,5H2,(H,14,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 272.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103770495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).