1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol

C16H21ClN2O2 — CID 78963128

IUPAC1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)O
InChIInChI=1S/C16H21ClN2O2/c1-4-19(11-16(2,3)20)10-15-18-9-14(21-15)12-5-7-13(17)8-6-12/h5-9,20H,4,10-11H2,1-3H3
InChIKeyZKQNGSGITBZUOO-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.59
Rot. Bonds6

About 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 78963128) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID78963128
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)O
InChIInChI=1S/C16H21ClN2O2/c1-4-19(11-16(2,3)20)10-15-18-9-14(21-15)12-5-7-13(17)8-6-12/h5-9,20H,4,10-11H2,1-3H3
InChIKeyZKQNGSGITBZUOO-UHFFFAOYSA-N
XLogP3.59
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
1-[ethyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962061
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
CID 61010033
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
1-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 78962464

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol (CID 78963128) is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)O.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is ZKQNGSGITBZUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-19(11-16(2,3)20)10-15-18-9-14(21-15)12-5-7-13(17)8-6-12/h5-9,20H,4,10-11H2,1-3H3.
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol?
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 308.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).