(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol

C19H21ClN4O3 — CID 170157699

IUPAC(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol
SMILESCc1cc(Cl)cc(O)c1-c1ccc2oc(NC[C@H]3CNC[C@@H](O)C3)nc2n1
InChIInChI=1S/C19H21ClN4O3/c1-10-4-12(20)6-15(26)17(10)14-2-3-16-18(23-14)24-19(27-16)22-8-11-5-13(25)9-21-7-11/h2-4,6,11,13,21,25-26H,5,7-9H2,1H3,(H,22,23,24)/t11-,13+/m1/s1
InChIKeyDDQGLZGXDRVEGU-YPMHNXCESA-N
MW388.86 g/mol
LogP2.94
Rot. Bonds4

About (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol

(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol (PubChem CID 170157699) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol
PubChem CID170157699
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol
SMILESCc1cc(Cl)cc(O)c1-c1ccc2oc(NC[C@H]3CNC[C@@H](O)C3)nc2n1
InChIInChI=1S/C19H21ClN4O3/c1-10-4-12(20)6-15(26)17(10)14-2-3-16-18(23-14)24-19(27-16)22-8-11-5-13(25)9-21-7-11/h2-4,6,11,13,21,25-26H,5,7-9H2,1H3,(H,22,23,24)/t11-,13+/m1/s1
InChIKeyDDQGLZGXDRVEGU-YPMHNXCESA-N
XLogP2.94
TPSA103.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol with MolForge

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Related Compounds

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
5-chloro-2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methylphenol
CID 170156057
2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
CID 170157555
(3R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
CID 175586005
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
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
3-[[(5-nitro-1,3-benzoxazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106136778
5-nitro-N-(pyrrolidin-3-ylmethyl)-1,3-benzoxazol-2-amine;hydrochloride
CID 71635908
N-(azetidin-3-ylmethyl)-4-chloroaniline
CID 84667306
N-(azetidin-3-ylmethyl)-3-methylpyridin-4-amine
CID 130854740
6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 82191751
2-N-[(3-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107411287

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol (CID 170157699) is (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol is Cc1cc(Cl)cc(O)c1-c1ccc2oc(NC[C@H]3CNC[C@@H](O)C3)nc2n1.
What is the InChIKey of (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol?
The InChIKey is DDQGLZGXDRVEGU-YPMHNXCESA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-10-4-12(20)6-15(26)17(10)14-2-3-16-18(23-14)24-19(27-16)22-8-11-5-13(25)9-21-7-11/h2-4,6,11,13,21,25-26H,5,7-9H2,1H3,(H,22,23,24)/t11-,13+/m1/s1.
What are the key properties of (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol?
(3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol has a molecular weight of 388.86 g/mol, XLogP of 2.94, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[[[5-(4-chloro-2-hydroxy-6-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 170157699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).