(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol

C19H21N3O3 — CID 10131985

IUPAC(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1
InChIKeyKMQYMRBSZURXSU-SFHVURJKSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds8

About (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol

(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10131985) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10131985
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1
InChIKeyKMQYMRBSZURXSU-SFHVURJKSA-N
XLogP2.75
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10131985) is (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is KMQYMRBSZURXSU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-19(22-13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 339.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[4-(5-methyl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10131985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).