2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol

C16H19ClN2O2 — CID 102676563

IUPAC2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1
InChIInChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)16-18-14(11-21-16)10-19(8-9-20)15-2-1-3-15/h4-7,11,15,20H,1-3,8-10H2
InChIKeyVBNSUZMNWGLBFC-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.34
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol

2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol (PubChem CID 102676563) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
PubChem CID102676563
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1
InChIInChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)16-18-14(11-21-16)10-19(8-9-20)15-2-1-3-15/h4-7,11,15,20H,1-3,8-10H2
InChIKeyVBNSUZMNWGLBFC-UHFFFAOYSA-N
XLogP3.34
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
CID 102677203
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
CID 66181515
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124
2-[(4-chloro-2-pyridinyl)methyl-cyclopropylamino]ethanol
CID 79255170
2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 102676985
2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
CID 102676588

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol (CID 102676563) is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol is OCCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol?
The InChIKey is VBNSUZMNWGLBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-6-4-12(5-7-13)16-18-14(11-21-16)10-19(8-9-20)15-2-1-3-15/h4-7,11,15,20H,1-3,8-10H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol?
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol has a molecular weight of 306.79 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102676563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).