1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol

C14H17ClN2O2 — CID 111824415

IUPAC1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol
SMILESCc1noc(C)c1N(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9-14(10(2)19-16-9)17(3)8-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3
InChIKeyINOHBSFZZKWKHX-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol

1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol (PubChem CID 111824415) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol
PubChem CID111824415
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol
SMILESCc1noc(C)c1N(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9-14(10(2)19-16-9)17(3)8-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3
InChIKeyINOHBSFZZKWKHX-UHFFFAOYSA-N
XLogP3.11
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol (CID 111824415) is 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol is Cc1noc(C)c1N(C)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol?
The InChIKey is INOHBSFZZKWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-14(10(2)19-16-9)17(3)8-13(18)11-4-6-12(15)7-5-11/h4-7,13,18H,8H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol?
1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol has a molecular weight of 280.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol is sourced from PubChem (CID 111824415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).