N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine

C18H18F3N3O2 — CID 134809319

IUPACN-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCOCCCNc1cc(-c2cccc(C(F)(F)F)c2)nc2c(C)noc12
InChIInChI=1S/C18H18F3N3O2/c1-11-16-17(26-24-11)15(22-7-4-8-25-2)10-14(23-16)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,22,23)
InChIKeyZMSQAHKNMPIIDH-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.67
Rot. Bonds6

About N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine

N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134809319) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134809319
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCOCCCNc1cc(-c2cccc(C(F)(F)F)c2)nc2c(C)noc12
InChIInChI=1S/C18H18F3N3O2/c1-11-16-17(26-24-11)15(22-7-4-8-25-2)10-14(23-16)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,22,23)
InChIKeyZMSQAHKNMPIIDH-UHFFFAOYSA-N
XLogP4.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-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

[3-[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134809613
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-[1,2]oxazolo[4,5-b]pyridine
CID 71544372
3-(4-Nitrophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743946
N-(2-methoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804920
3-methyl-N-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804957
5-(4-fluorophenyl)-3-methyl-N-pyridin-4-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805649
5-(4-fluorophenyl)-3-methyl-N-(oxan-4-ylmethyl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805660
5-(4-fluorophenyl)-3-methyl-N-(1-methylpiperidin-4-yl)-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134805967
3-methyl-N-(pyridin-3-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134806292
3-methyl-7-(1H-pyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridine
CID 134806635
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
[3-[3-Methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]phenyl]methanol
CID 134806963

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134809319) is N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is COCCCNc1cc(-c2cccc(C(F)(F)F)c2)nc2c(C)noc12.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is ZMSQAHKNMPIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-16-17(26-24-11)15(22-7-4-8-25-2)10-14(23-16)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,22,23).
What are the key properties of N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine?
N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 365.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134809319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).