2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol

C18H25N3O3 — CID 169196793

IUPAC2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
SMILESCOc1ccc(CCO)cc1-c1cc(CN2CCN(C)CC2)on1
InChIInChI=1S/C18H25N3O3/c1-20-6-8-21(9-7-20)13-15-12-17(19-24-15)16-11-14(5-10-22)3-4-18(16)23-2/h3-4,11-12,22H,5-10,13H2,1-2H3
InChIKeySWWYWVXNOODFLC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.63
Rot. Bonds6

About 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol

2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol (PubChem CID 169196793) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
PubChem CID169196793
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
SMILESCOc1ccc(CCO)cc1-c1cc(CN2CCN(C)CC2)on1
InChIInChI=1S/C18H25N3O3/c1-20-6-8-21(9-7-20)13-15-12-17(19-24-15)16-11-14(5-10-22)3-4-18(16)23-2/h3-4,11-12,22H,5-10,13H2,1-2H3
InChIKeySWWYWVXNOODFLC-UHFFFAOYSA-N
XLogP1.63
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol?
The IUPAC name of 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol (CID 169196793) is 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol is COc1ccc(CCO)cc1-c1cc(CN2CCN(C)CC2)on1.
What is the InChIKey of 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol?
The InChIKey is SWWYWVXNOODFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-6-8-21(9-7-20)13-15-12-17(19-24-15)16-11-14(5-10-22)3-4-18(16)23-2/h3-4,11-12,22H,5-10,13H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol?
2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol has a molecular weight of 331.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 169196793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).