N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide

C10H13F2N3O3 — CID 167852428

IUPACN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
SMILESCC(F)(F)c1noc(CNC(=O)C2CCOC2)n1
InChIInChI=1S/C10H13F2N3O3/c1-10(11,12)9-14-7(18-15-9)4-13-8(16)6-2-3-17-5-6/h6H,2-5H2,1H3,(H,13,16)
InChIKeyIPMIQQJNZBVBHW-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.83
Rot. Bonds4

About N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide

N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide (PubChem CID 167852428) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
PubChem CID167852428
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC NameN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
SMILESCC(F)(F)c1noc(CNC(=O)C2CCOC2)n1
InChIInChI=1S/C10H13F2N3O3/c1-10(11,12)9-14-7(18-15-9)4-13-8(16)6-2-3-17-5-6/h6H,2-5H2,1H3,(H,13,16)
InChIKeyIPMIQQJNZBVBHW-UHFFFAOYSA-N
XLogP0.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
CID 155956034
3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole
CID 167782621
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolane-3-carboxamide
CID 122560083
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 166266619
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 53049086
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide (CID 167852428) is N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide is CC(F)(F)c1noc(CNC(=O)C2CCOC2)n1.
What is the InChIKey of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
The InChIKey is IPMIQQJNZBVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-10(11,12)9-14-7(18-15-9)4-13-8(16)6-2-3-17-5-6/h6H,2-5H2,1H3,(H,13,16).
What are the key properties of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide?
N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide has a molecular weight of 261.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 167852428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).