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

C17H24Cl2N2O4 — CID 13071628

IUPAC1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1onc(COc2ccccc2OCC(O)CNC(C)C)c1Cl.Cl
InChIInChI=1S/C17H23ClN2O4.ClH/c1-11(2)19-8-13(21)9-22-15-6-4-5-7-16(15)23-10-14-17(18)12(3)24-20-14;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H
InChIKeyJVPWNGUVOSIOLM-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.37
Rot. Bonds9

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

1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 13071628) has the molecular formula C17H24Cl2N2O4 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID13071628
Molecular FormulaC17H24Cl2N2O4
Molecular Weight391.30 g/mol
Exact Mass390.11
IUPAC Name1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1onc(COc2ccccc2OCC(O)CNC(C)C)c1Cl.Cl
InChIInChI=1S/C17H23ClN2O4.ClH/c1-11(2)19-8-13(21)9-22-15-6-4-5-7-16(15)23-10-14-17(18)12(3)24-20-14;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H
InChIKeyJVPWNGUVOSIOLM-UHFFFAOYSA-N
XLogP3.37
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)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-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 13071628) is 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1onc(COc2ccccc2OCC(O)CNC(C)C)c1Cl.Cl.
What is the InChIKey of 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is JVPWNGUVOSIOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4.ClH/c1-11(2)19-8-13(21)9-22-15-6-4-5-7-16(15)23-10-14-17(18)12(3)24-20-14;/h4-7,11,13,19,21H,8-10H2,1-3H3;1H.
What are the key properties of 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 13071628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).