5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

C12H16F2N2O2 — CID 175584230

IUPAC5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(CC2CCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-7-10(11(15)17)9(18-16-7)6-8-2-4-12(13,14)5-3-8/h8H,2-6H2,1H3,(H2,15,17)
InChIKeyJCUJDMKXCBHRRE-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.45
Rot. Bonds3

About 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide

5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 175584230) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID175584230
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(CC2CCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C12H16F2N2O2/c1-7-10(11(15)17)9(18-16-7)6-8-2-4-12(13,14)5-3-8/h8H,2-6H2,1H3,(H2,15,17)
InChIKeyJCUJDMKXCBHRRE-UHFFFAOYSA-N
XLogP2.45
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 175584230) is 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(CC2CCC(F)(F)CC2)c1C(N)=O.
What is the InChIKey of 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JCUJDMKXCBHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7-10(11(15)17)9(18-16-7)6-8-2-4-12(13,14)5-3-8/h8H,2-6H2,1H3,(H2,15,17).
What are the key properties of 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluorocyclohexyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).