N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide

C9H10F2N2O2 — CID 126767362

IUPACN-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)c1ccon1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)3-6(4-9)5-12-8(14)7-1-2-15-13-7/h1-2,6H,3-5H2,(H,12,14)
InChIKeyDMXIJLAQIPXXLZ-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.45
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 126767362) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID126767362
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)c1ccon1
InChIInChI=1S/C9H10F2N2O2/c10-9(11)3-6(4-9)5-12-8(14)7-1-2-15-13-7/h1-2,6H,3-5H2,(H,12,14)
InChIKeyDMXIJLAQIPXXLZ-UHFFFAOYSA-N
XLogP1.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 56738478
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131933273
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128967627
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 126770004
1-(4-chlorophenyl)-N-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazole-3-carboxamide
CID 167906921
N-[[(2R,3R)-3-methyl-1-(1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129433026

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide (CID 126767362) is N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CC(F)(F)C1)c1ccon1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DMXIJLAQIPXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-9(11)3-6(4-9)5-12-8(14)7-1-2-15-13-7/h1-2,6H,3-5H2,(H,12,14).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide?
N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126767362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).