N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide

C19H23F2N3O2 — CID 53324153

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)c1ccno1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12?,15?,17-/m1/s1
InChIKeyIDGAWOHGRIKCMX-MWHAMWOXSA-N
MW363.41 g/mol
LogP3.15
Rot. Bonds5

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 53324153) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID53324153
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)c1ccno1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12?,15?,17-/m1/s1
InChIKeyIDGAWOHGRIKCMX-MWHAMWOXSA-N
XLogP3.15
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide (CID 53324153) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide is CN(C(=O)c1ccno1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IDGAWOHGRIKCMX-MWHAMWOXSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12?,15?,17-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 53324153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).