5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine

C17H21FN2O — CID 114459367

IUPAC5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H2,19,20)
InChIKeyNCHOJVNFCKGKKU-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.58
Rot. Bonds3

About 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine

5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 114459367) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID114459367
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H2,19,20)
InChIKeyNCHOJVNFCKGKKU-UHFFFAOYSA-N
XLogP4.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103167415
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936
5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199268
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 103167465
4-(4-bromophenyl)-5-(2-cyclohexylethyl)-1,2-oxazol-3-amine
CID 66199720
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
5-(cyclohexylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198156
5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 66204000
5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525669
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine (CID 114459367) is 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(CC2CCCCCC2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is NCHOJVNFCKGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-14-9-7-13(8-10-14)16-15(21-20-17(16)19)11-12-5-3-1-2-4-6-12/h7-10,12H,1-6,11H2,(H2,19,20).
What are the key properties of 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine?
5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 288.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 114459367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).