4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine

C18H28F2N2O2 — CID 167758868

IUPAC4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine
SMILESCc1cc(COC2CCC(NC3CCCC(F)(F)CC3)CC2)on1
InChIInChI=1S/C18H28F2N2O2/c1-13-11-17(24-22-13)12-23-16-6-4-15(5-7-16)21-14-3-2-9-18(19,20)10-8-14/h11,14-16,21H,2-10,12H2,1H3
InChIKeySADISVOCAWRASB-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.37
Rot. Bonds5

About 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine

4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine (PubChem CID 167758868) has the molecular formula C18H28F2N2O2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine
PubChem CID167758868
Molecular FormulaC18H28F2N2O2
Molecular Weight342.43 g/mol
Exact Mass342.21
IUPAC Name4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine
SMILESCc1cc(COC2CCC(NC3CCCC(F)(F)CC3)CC2)on1
InChIInChI=1S/C18H28F2N2O2/c1-13-11-17(24-22-13)12-23-16-6-4-15(5-7-16)21-14-3-2-9-18(19,20)10-8-14/h11,14-16,21H,2-10,12H2,1H3
InChIKeySADISVOCAWRASB-UHFFFAOYSA-N
XLogP4.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine with MolForge

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Related Compounds

N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55073205
N-[[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077556
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62443878
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443879
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444064
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62444065
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444260
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444261
2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 66155546
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 66274445
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
CID 66274446

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine?
The IUPAC name of 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine (CID 167758868) is 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine?
The canonical SMILES for 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine is Cc1cc(COC2CCC(NC3CCCC(F)(F)CC3)CC2)on1.
What is the InChIKey of 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine?
The InChIKey is SADISVOCAWRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2N2O2/c1-13-11-17(24-22-13)12-23-16-6-4-15(5-7-16)21-14-3-2-9-18(19,20)10-8-14/h11,14-16,21H,2-10,12H2,1H3.
What are the key properties of 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine?
4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine has a molecular weight of 342.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]cyclohexyl]cycloheptan-1-amine is sourced from PubChem (CID 167758868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).