N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide

C8H8F2N2O2 — CID 175900992

IUPACN-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccon1
InChIInChI=1S/C8H8F2N2O2/c9-8(10)3-5(4-8)11-7(13)6-1-2-14-12-6/h1-2,5H,3-4H2,(H,11,13)
InChIKeyRTCZWIHAISIXCN-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.20
Rot. Bonds2

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

N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 175900992) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
PubChem CID175900992
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC NameN-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccon1
InChIInChI=1S/C8H8F2N2O2/c9-8(10)3-5(4-8)11-7(13)6-1-2-14-12-6/h1-2,5H,3-4H2,(H,11,13)
InChIKeyRTCZWIHAISIXCN-UHFFFAOYSA-N
XLogP1.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide (CID 175900992) is N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide is O=C(NC1CC(F)(F)C1)c1ccon1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RTCZWIHAISIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)3-5(4-8)11-7(13)6-1-2-14-12-6/h1-2,5H,3-4H2,(H,11,13).
What are the key properties of N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide?
N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 175900992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).