3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol

C16H20ClN3O2 — CID 136564067

IUPAC3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)(Cc1ccc(Cl)cc1)NCc1noc(C2CC2)n1
InChIInChI=1S/C16H20ClN3O2/c1-16(10-21,8-11-2-6-13(17)7-3-11)18-9-14-19-15(22-20-14)12-4-5-12/h2-3,6-7,12,18,21H,4-5,8-10H2,1H3
InChIKeyYAGOYSGCDBIHCC-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.68
Rot. Bonds7

About 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol

3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 136564067) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol
PubChem CID136564067
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)(Cc1ccc(Cl)cc1)NCc1noc(C2CC2)n1
InChIInChI=1S/C16H20ClN3O2/c1-16(10-21,8-11-2-6-13(17)7-3-11)18-9-14-19-15(22-20-14)12-4-5-12/h2-3,6-7,12,18,21H,4-5,8-10H2,1H3
InChIKeyYAGOYSGCDBIHCC-UHFFFAOYSA-N
XLogP2.68
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol (CID 136564067) is 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol is CC(CO)(Cc1ccc(Cl)cc1)NCc1noc(C2CC2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is YAGOYSGCDBIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-16(10-21,8-11-2-6-13(17)7-3-11)18-9-14-19-15(22-20-14)12-4-5-12/h2-3,6-7,12,18,21H,4-5,8-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol?
3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 321.81 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 136564067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).