1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride

C18H26Cl2N2O4 — CID 13228145

IUPAC1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)c1Cl.Cl
InChIInChI=1S/C18H25ClN2O4.ClH/c1-12-17(19)16(25-21-12)11-24-15-8-6-5-7-14(15)23-10-13(22)9-20-18(2,3)4;/h5-8,13,20,22H,9-11H2,1-4H3;1H
InChIKeyBTVQIRKJRXNQGA-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.77
Rot. Bonds8

About 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride

1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (PubChem CID 13228145) has the molecular formula C18H26Cl2N2O4 and a molecular weight of 405.32 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
PubChem CID13228145
Molecular FormulaC18H26Cl2N2O4
Molecular Weight405.32 g/mol
Exact Mass404.13
IUPAC Name1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride
SMILESCc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)c1Cl.Cl
InChIInChI=1S/C18H25ClN2O4.ClH/c1-12-17(19)16(25-21-12)11-24-15-8-6-5-7-14(15)23-10-13(22)9-20-18(2,3)4;/h5-8,13,20,22H,9-11H2,1-4H3;1H
InChIKeyBTVQIRKJRXNQGA-UHFFFAOYSA-N
XLogP3.77
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride (CID 13228145) is 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is Cc1noc(COc2ccccc2OCC(O)CNC(C)(C)C)c1Cl.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
The InChIKey is BTVQIRKJRXNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4.ClH/c1-12-17(19)16(25-21-12)11-24-15-8-6-5-7-14(15)23-10-13(22)9-20-18(2,3)4;/h5-8,13,20,22H,9-11H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride has a molecular weight of 405.32 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 13228145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).