N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine

C22H25F3N4O — CID 133401764

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1nc(CN2CCC(CNc3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C
InChIInChI=1S/C22H25F3N4O/c1-14-15(2)30-21(28-14)13-29-9-6-16(7-10-29)12-27-19-5-8-26-20-11-17(22(23,24)25)3-4-18(19)20/h3-5,8,11,16H,6-7,9-10,12-13H2,1-2H3,(H,26,27)
InChIKeyCSNRNHYXXBYDEM-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.18
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133401764) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133401764
Molecular FormulaC22H25F3N4O
Molecular Weight418.46 g/mol
Exact Mass418.20
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1nc(CN2CCC(CNc3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C
InChIInChI=1S/C22H25F3N4O/c1-14-15(2)30-21(28-14)13-29-9-6-16(7-10-29)12-27-19-5-8-26-20-11-17(22(23,24)25)3-4-18(19)20/h3-5,8,11,16H,6-7,9-10,12-13H2,1-2H3,(H,26,27)
InChIKeyCSNRNHYXXBYDEM-UHFFFAOYSA-N
XLogP5.18
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16068449
CID 16068449
CID 177051268
CID 177051268
CID 95147070
CID 95147070
CID 86274216
CID 86274216
CID 167200255
CID 167200255
CID 173620089
CID 173620089
CID 177050530
CID 177050530
CID 177051394
CID 177051394
CID 178010810
CID 178010810
CID 178010831
CID 178010831
CID 178011005
CID 178011005
CID 106369370
CID 106369370

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine (CID 133401764) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine is Cc1nc(CN2CCC(CNc3ccnc4cc(C(F)(F)F)ccc34)CC2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is CSNRNHYXXBYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O/c1-14-15(2)30-21(28-14)13-29-9-6-16(7-10-29)12-27-19-5-8-26-20-11-17(22(23,24)25)3-4-18(19)20/h3-5,8,11,16H,6-7,9-10,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133401764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).