[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid

C14H13F2N3O3 — CID 71280466

IUPAC[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)O
InChIInChI=1S/C14H13F2N3O3/c1-7-2-3-8(4-10(7)17-13(20)21)11-18-12(22-19-11)9-5-14(15,16)6-9/h2-4,9,17H,5-6H2,1H3,(H,20,21)
InChIKeyNNRBVARXFLFWNB-UHFFFAOYSA-N
MW309.27 g/mol
LogP3.65
Rot. Bonds3

About [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid

[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid (PubChem CID 71280466) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid
PubChem CID71280466
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)O
InChIInChI=1S/C14H13F2N3O3/c1-7-2-3-8(4-10(7)17-13(20)21)11-18-12(22-19-11)9-5-14(15,16)6-9/h2-4,9,17H,5-6H2,1H3,(H,20,21)
InChIKeyNNRBVARXFLFWNB-UHFFFAOYSA-N
XLogP3.65
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
CID 71282794
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane
CID 169268620
6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 157398913
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280663
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 151078240
4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one
CID 150925803
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268599
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796583

Frequently Asked Questions

What is the IUPAC name of [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid?
The IUPAC name of [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid (CID 71280466) is [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid.
What is the SMILES notation for [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid?
The canonical SMILES for [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)O.
What is the InChIKey of [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid?
The InChIKey is NNRBVARXFLFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-7-2-3-8(4-10(7)17-13(20)21)11-18-12(22-19-11)9-5-14(15,16)6-9/h2-4,9,17H,5-6H2,1H3,(H,20,21).
What are the key properties of [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid?
[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid has a molecular weight of 309.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid is sourced from PubChem (CID 71280466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).