3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol

C17H16N2O3 — CID 132992934

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol
SMILESCc1noc(C)c1-c1cc(O)cc([C@@H](O)c2cccnc2)c1
InChIInChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m0/s1
InChIKeyRFDVEAHRRMEOHK-KRWDZBQOSA-N
MW296.33 g/mol
LogP3.14
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol (PubChem CID 132992934) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol
PubChem CID132992934
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol
SMILESCc1noc(C)c1-c1cc(O)cc([C@@H](O)c2cccnc2)c1
InChIInChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m0/s1
InChIKeyRFDVEAHRRMEOHK-KRWDZBQOSA-N
XLogP3.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol (CID 132992934) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol is Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2cccnc2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol?
The InChIKey is RFDVEAHRRMEOHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol has a molecular weight of 296.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 132992934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).