3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol

C20H24N4O2 — CID 170156282

IUPAC3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
SMILESCc1ccc(C)c(-c2ccc3oc(N[C@@H]4CCCN(C)C4)nc3n2)c1O
InChIInChI=1S/C20H24N4O2/c1-12-6-7-13(2)18(25)17(12)15-8-9-16-19(22-15)23-20(26-16)21-14-5-4-10-24(3)11-14/h6-9,14,25H,4-5,10-11H2,1-3H3,(H,21,22,23)/t14-/m1/s1
InChIKeyWOOLZGZTINCZEO-CQSZACIVSA-N
MW352.44 g/mol
LogP3.72
Rot. Bonds3

About 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol

3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol (PubChem CID 170156282) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
PubChem CID170156282
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
SMILESCc1ccc(C)c(-c2ccc3oc(N[C@@H]4CCCN(C)C4)nc3n2)c1O
InChIInChI=1S/C20H24N4O2/c1-12-6-7-13(2)18(25)17(12)15-8-9-16-19(22-15)23-20(26-16)21-14-5-4-10-24(3)11-14/h6-9,14,25H,4-5,10-11H2,1-3H3,(H,21,22,23)/t14-/m1/s1
InChIKeyWOOLZGZTINCZEO-CQSZACIVSA-N
XLogP3.72
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093
2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
CID 170157555
5-chloro-2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methylphenol
CID 170156057
2-N-(1-methylpiperidin-3-yl)-1,3-benzoxazole-2,6-diamine
CID 79893336
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
5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 170156214
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-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 170172928
(3S,5R)-5-[(5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-methylpiperidin-3-ol
CID 171778115
4-methyl-1-N-(1-methylpiperidin-3-yl)benzene-1,3-diamine
CID 62911293
N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine
CID 83484641
4-[2-[[(3S,5S)-1-ethyl-5-hydroxypiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-hydroxy-5-methylbenzonitrile;formic acid
CID 170157307

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The IUPAC name of 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol (CID 170156282) is 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The canonical SMILES for 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol is Cc1ccc(C)c(-c2ccc3oc(N[C@@H]4CCCN(C)C4)nc3n2)c1O.
What is the InChIKey of 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The InChIKey is WOOLZGZTINCZEO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-6-7-13(2)18(25)17(12)15-8-9-16-19(22-15)23-20(26-16)21-14-5-4-10-24(3)11-14/h6-9,14,25H,4-5,10-11H2,1-3H3,(H,21,22,23)/t14-/m1/s1.
What are the key properties of 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol has a molecular weight of 352.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[2-[[(3R)-1-methylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol is sourced from PubChem (CID 170156282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).