5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol

C21H24ClN3O3 — CID 170157269

IUPAC5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
SMILESCc1cc(Cl)cc(O)c1-c1ccc2oc(CC3CN(C(C)C)CCO3)nc2n1
InChIInChI=1S/C21H24ClN3O3/c1-12(2)25-6-7-27-15(11-25)10-19-24-21-18(28-19)5-4-16(23-21)20-13(3)8-14(22)9-17(20)26/h4-5,8-9,12,15,26H,6-7,10-11H2,1-3H3
InChIKeyWLACLVRXKSZHMI-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.21
Rot. Bonds4

About 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol

5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol (PubChem CID 170157269) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
PubChem CID170157269
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol
SMILESCc1cc(Cl)cc(O)c1-c1ccc2oc(CC3CN(C(C)C)CCO3)nc2n1
InChIInChI=1S/C21H24ClN3O3/c1-12(2)25-6-7-27-15(11-25)10-19-24-21-18(28-19)5-4-16(23-21)20-13(3)8-14(22)9-17(20)26/h4-5,8-9,12,15,26H,6-7,10-11H2,1-3H3
InChIKeyWLACLVRXKSZHMI-UHFFFAOYSA-N
XLogP4.21
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 175894294
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
2-[2-(4-chloro-2-methylphenyl)-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]-4-propan-2-ylmorpholine
CID 155966267
2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 103428431
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81191559
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
CID 82976718
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The IUPAC name of 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol (CID 170157269) is 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol.
What is the SMILES notation for 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The canonical SMILES for 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol is Cc1cc(Cl)cc(O)c1-c1ccc2oc(CC3CN(C(C)C)CCO3)nc2n1.
What is the InChIKey of 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
The InChIKey is WLACLVRXKSZHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-12(2)25-6-7-27-15(11-25)10-19-24-21-18(28-19)5-4-16(23-21)20-13(3)8-14(22)9-17(20)26/h4-5,8-9,12,15,26H,6-7,10-11H2,1-3H3.
What are the key properties of 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol?
5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol has a molecular weight of 401.89 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-[2-[(4-propan-2-ylmorpholin-2-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-5-yl]phenol is sourced from PubChem (CID 170157269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).