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

C20H23N3O4 — CID 10155942

IUPAC(1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCOCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1
InChIInChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1
InChIKeyNSGBLDXWYROQLS-IBGZPJMESA-N
MW369.42 g/mol
LogP2.59
Rot. Bonds10

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

(1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10155942) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10155942
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCOCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1
InChIInChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1
InChIKeyNSGBLDXWYROQLS-IBGZPJMESA-N
XLogP2.59
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10155942) is (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1.
What is the InChIKey of (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is NSGBLDXWYROQLS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-14-20-23-18(13-27-20)15-4-6-17(7-5-15)26-10-9-22-12-19(24)16-3-2-8-21-11-16/h2-8,11,13,19,22,24H,9-10,12,14H2,1H3/t19-/m0/s1.
What are the key properties of (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 369.42 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[4-[2-(methoxymethyl)-1,3-oxazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10155942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).