N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide

C18H22F2N2O2 — CID 11566219

IUPACN-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC(c2ccc(F)cc2F)=NO1)C1CCCCC1
InChIInChI=1S/C18H22F2N2O2/c1-22(13-5-3-2-4-6-13)18(23)11-14-10-17(21-24-14)15-8-7-12(19)9-16(15)20/h7-9,13-14H,2-6,10-11H2,1H3
InChIKeyWAWSIARAIPEDSQ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.64
Rot. Bonds4

About N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide

N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide (PubChem CID 11566219) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
PubChem CID11566219
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC NameN-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)CC1CC(c2ccc(F)cc2F)=NO1)C1CCCCC1
InChIInChI=1S/C18H22F2N2O2/c1-22(13-5-3-2-4-6-13)18(23)11-14-10-17(21-24-14)15-8-7-12(19)9-16(15)20/h7-9,13-14H,2-6,10-11H2,1H3
InChIKeyWAWSIARAIPEDSQ-UHFFFAOYSA-N
XLogP3.64
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide (CID 11566219) is N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide is CN(C(=O)CC1CC(c2ccc(F)cc2F)=NO1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
The InChIKey is WAWSIARAIPEDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-22(13-5-3-2-4-6-13)18(23)11-14-10-17(21-24-14)15-8-7-12(19)9-16(15)20/h7-9,13-14H,2-6,10-11H2,1H3.
What are the key properties of N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide?
N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide has a molecular weight of 336.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 11566219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).