N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine

C17H25F2N5O — CID 86795252

IUPACN-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine
SMILESCc1c(-c2cc(CN3CCC(N(C)CC(F)F)CC3)on2)cnn1C
InChIInChI=1S/C17H25F2N5O/c1-12-15(9-20-23(12)3)16-8-14(25-21-16)10-24-6-4-13(5-7-24)22(2)11-17(18)19/h8-9,13,17H,4-7,10-11H2,1-3H3
InChIKeyIPMWWCLGBOXKAX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.54
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine

N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine (PubChem CID 86795252) has the molecular formula C17H25F2N5O and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine
PubChem CID86795252
Molecular FormulaC17H25F2N5O
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC NameN-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine
SMILESCc1c(-c2cc(CN3CCC(N(C)CC(F)F)CC3)on2)cnn1C
InChIInChI=1S/C17H25F2N5O/c1-12-15(9-20-23(12)3)16-8-14(25-21-16)10-24-6-4-13(5-7-24)22(2)11-17(18)19/h8-9,13,17H,4-7,10-11H2,1-3H3
InChIKeyIPMWWCLGBOXKAX-UHFFFAOYSA-N
XLogP2.54
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-difluorophenyl)-5-[2-(1H-pyrazol-1-yl)butanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56753692
5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
CID 44580285
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
2-[4-[1-Ethyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-5-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 172465630
3-(2-fluorophenyl)-5-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 42287235
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
5-(bromomethyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole
CID 75356273
3-(3-fluorophenyl)-5-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25455849
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide
CID 46975568
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 56883975
1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]-N-methyl-N-{[3-(4-pyridinyl)-5-isoxazolyl]methyl}methanamine
CID 56894384
5-[(3,5-Dimethylpyrazol-1-yl)methyl]-3-phenyl-1,2-oxazole
CID 72003380

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine (CID 86795252) is N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine is Cc1c(-c2cc(CN3CCC(N(C)CC(F)F)CC3)on2)cnn1C.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine?
The InChIKey is IPMWWCLGBOXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N5O/c1-12-15(9-20-23(12)3)16-8-14(25-21-16)10-24-6-4-13(5-7-24)22(2)11-17(18)19/h8-9,13,17H,4-7,10-11H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine?
N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine has a molecular weight of 353.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 86795252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).