5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole

C13H16F2N2O2 — CID 145100672

IUPAC5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole
SMILESO=NCc1c(C2CCC(F)(F)CC2)noc1C1CC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)5-3-8(4-6-13)11-10(7-16-18)12(19-17-11)9-1-2-9/h8-9H,1-7H2
InChIKeyAHWGBXIUUSPABW-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.11
Rot. Bonds4

About 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole

5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole (PubChem CID 145100672) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole
PubChem CID145100672
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole
SMILESO=NCc1c(C2CCC(F)(F)CC2)noc1C1CC1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)5-3-8(4-6-13)11-10(7-16-18)12(19-17-11)9-1-2-9/h8-9H,1-7H2
InChIKeyAHWGBXIUUSPABW-UHFFFAOYSA-N
XLogP4.11
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole (CID 145100672) is 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole is O=NCc1c(C2CCC(F)(F)CC2)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole?
The InChIKey is AHWGBXIUUSPABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)5-3-8(4-6-13)11-10(7-16-18)12(19-17-11)9-1-2-9/h8-9H,1-7H2.
What are the key properties of 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole?
5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole has a molecular weight of 270.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole is sourced from PubChem (CID 145100672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).