N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H18F2N4O — CID 133322446

IUPACN-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCCc3ccc(F)cc3F)c2)n1
InChIInChI=1S/C18H18F2N4O/c1-11(2)17-23-18(25-24-17)13-6-8-22-16(9-13)21-7-5-12-3-4-14(19)10-15(12)20/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,22)
InChIKeyJHBHEOCDHAQFGP-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133322446) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133322446
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCCc3ccc(F)cc3F)c2)n1
InChIInChI=1S/C18H18F2N4O/c1-11(2)17-23-18(25-24-17)13-6-8-22-16(9-13)21-7-5-12-3-4-14(19)10-15(12)20/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,22)
InChIKeyJHBHEOCDHAQFGP-UHFFFAOYSA-N
XLogP4.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine with MolForge

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133459006
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 71871464
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317191
N-[(2-nitrophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318076
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322061
1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 133383194
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 154800103
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133322446) is N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(NCCc3ccc(F)cc3F)c2)n1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is JHBHEOCDHAQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-11(2)17-23-18(25-24-17)13-6-8-22-16(9-13)21-7-5-12-3-4-14(19)10-15(12)20/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 344.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133322446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).