Olodaterol

Name: Olodaterol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₆N₂O₅ — CID 11504295

💊View drug profile → olodaterol

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one

SMILESCOc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1

InChIInChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1

InChIKeyCOUYJEVMBVSIHV-SFHVURJKSA-N

MW386.45 g/mol

LogP2.38

Rot. Bonds7

About Olodaterol

Olodaterol (PubChem CID 11504295) has the molecular formula C₂₁H₂₆N₂O₅ and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name	Olodaterol
PubChem CID	11504295
Molecular Formula	C₂₁H₂₆N₂O₅
Molecular Weight	386.45 g/mol
Exact Mass	386.18
IUPAC Name	6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILES	COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
InChI	InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKey	COUYJEVMBVSIHV-SFHVURJKSA-N
XLogP	2.38
TPSA	100.05 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Olodaterol?

The IUPAC name of Olodaterol (CID 11504295) is 6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for Olodaterol?

The canonical SMILES for Olodaterol is COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1.

What is the InChIKey of Olodaterol?

The InChIKey is COUYJEVMBVSIHV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1.

What are the key properties of Olodaterol?

Olodaterol has a molecular weight of 386.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Olodaterol is sourced from PubChem (CID 11504295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: O · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11504295 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 4814 — approved-drug record (CC BY-SA 4.0)

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