5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine

C27H26ClF3N4O3 — CID 170172928

IUPAC5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCCN1CCCC(Nc2nc3nc(-c4c(OCc5ccccc5)cc(Cl)cc4OC(F)(F)F)ccc3o2)C1
InChIInChI=1S/C27H26ClF3N4O3/c1-2-35-12-6-9-19(15-35)32-26-34-25-21(37-26)11-10-20(33-25)24-22(36-16-17-7-4-3-5-8-17)13-18(28)14-23(24)38-27(29,30)31/h3-5,7-8,10-11,13-14,19H,2,6,9,12,15-16H2,1H3,(H,32,33,34)
InChIKeyGQVKIMGOJFKQKV-UHFFFAOYSA-N
MW546.98 g/mol
LogP6.92
Rot. Bonds8

About 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine

5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine (PubChem CID 170172928) has the molecular formula C27H26ClF3N4O3 and a molecular weight of 546.98 g/mol. Its IUPAC name is 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine
PubChem CID170172928
Molecular FormulaC27H26ClF3N4O3
Molecular Weight546.98 g/mol
Exact Mass546.16
IUPAC Name5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCCN1CCCC(Nc2nc3nc(-c4c(OCc5ccccc5)cc(Cl)cc4OC(F)(F)F)ccc3o2)C1
InChIInChI=1S/C27H26ClF3N4O3/c1-2-35-12-6-9-19(15-35)32-26-34-25-21(37-26)11-10-20(33-25)24-22(36-16-17-7-4-3-5-8-17)13-18(28)14-23(24)38-27(29,30)31/h3-5,7-8,10-11,13-14,19H,2,6,9,12,15-16H2,1H3,(H,32,33,34)
InChIKeyGQVKIMGOJFKQKV-UHFFFAOYSA-N
XLogP6.92
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.98
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-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

5-chloro-2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methylphenol
CID 170156057
3-chloro-2-[2-[(1-ethylpiperidin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluorophenol;2,2,2-trifluoroacetic acid
CID 175895007
2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
CID 170157555
3-chloro-4-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-hydroxybenzonitrile;2,2,2-trifluoroacetic acid
CID 170157713
5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 170156214
5-chloro-2-[2-[[(3S,5S)-1-ethyl-5-fluoropiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methylphenol
CID 170157830
3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
CID 170156282
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
(3R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
CID 175586005
(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
CID 171777991

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine (CID 170172928) is 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine is CCN1CCCC(Nc2nc3nc(-c4c(OCc5ccccc5)cc(Cl)cc4OC(F)(F)F)ccc3o2)C1.
What is the InChIKey of 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The InChIKey is GQVKIMGOJFKQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF3N4O3/c1-2-35-12-6-9-19(15-35)32-26-34-25-21(37-26)11-10-20(33-25)24-22(36-16-17-7-4-3-5-8-17)13-18(28)14-23(24)38-27(29,30)31/h3-5,7-8,10-11,13-14,19H,2,6,9,12,15-16H2,1H3,(H,32,33,34).
What are the key properties of 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine?
5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine has a molecular weight of 546.98 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 170172928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).