5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C15H14ClN3O — CID 134807236

IUPAC5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(N(C)C)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN3O/c1-9-14-15(20-18-9)13(19(2)3)8-12(17-14)10-4-6-11(16)7-5-10/h4-8H,1-3H3
InChIKeyWVKZQIPICYWLBG-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.92
Rot. Bonds2

About 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134807236) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134807236
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(N(C)C)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN3O/c1-9-14-15(20-18-9)13(19(2)3)8-12(17-14)10-4-6-11(16)7-5-10/h4-8H,1-3H3
InChIKeyWVKZQIPICYWLBG-UHFFFAOYSA-N
XLogP3.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-Dichlorophenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3743953
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-(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
N-[5-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 134806935
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
CID 134809303
N-(3-methoxypropyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809319
3-methyl-N-(1-methylpiperidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134809636
4-[[5-(4-Fluorophenyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-yl]amino]benzamide
CID 134811220
7-(4-Methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[4,5-b]pyridine
CID 89478975
5-(4-fluorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134804928

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134807236) is 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(N(C)C)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is WVKZQIPICYWLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-14-15(20-18-9)13(19(2)3)8-12(17-14)10-4-6-11(16)7-5-10/h4-8H,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 287.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N,3-trimethyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134807236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).