2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol

C15H19ClN2O2 — CID 60696759

IUPAC2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H19ClN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3
InChIKeyZHFPZACHVFZHMY-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.20
Rot. Bonds7

About 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol

2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol (PubChem CID 60696759) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
PubChem CID60696759
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H19ClN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3
InChIKeyZHFPZACHVFZHMY-UHFFFAOYSA-N
XLogP3.20
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 111487479
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111112523
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631921
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78815733
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylamino]pentanoic acid
CID 43631460

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol (CID 60696759) is 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol is CCCN(CCO)Cc1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
The InChIKey is ZHFPZACHVFZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-6-18(7-8-19)11-15-17-10-14(20-15)12-4-3-5-13(16)9-12/h3-5,9-10,19H,2,6-8,11H2,1H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol?
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol has a molecular weight of 294.78 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol is sourced from PubChem (CID 60696759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).