2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol

C18H24N2O2 — CID 166243021

IUPAC2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol
SMILESCC(C)c1cccc(N(CCO)Cc2cc(C3CC3)no2)c1
InChIInChI=1S/C18H24N2O2/c1-13(2)15-4-3-5-16(10-15)20(8-9-21)12-17-11-18(19-22-17)14-6-7-14/h3-5,10-11,13-14,21H,6-9,12H2,1-2H3
InChIKeySGYYWMPVGXOJJU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.67
Rot. Bonds7

About 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol

2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol (PubChem CID 166243021) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol
PubChem CID166243021
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol
SMILESCC(C)c1cccc(N(CCO)Cc2cc(C3CC3)no2)c1
InChIInChI=1S/C18H24N2O2/c1-13(2)15-4-3-5-16(10-15)20(8-9-21)12-17-11-18(19-22-17)14-6-7-14/h3-5,10-11,13-14,21H,6-9,12H2,1-2H3
InChIKeySGYYWMPVGXOJJU-UHFFFAOYSA-N
XLogP3.67
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol (CID 166243021) is 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol is CC(C)c1cccc(N(CCO)Cc2cc(C3CC3)no2)c1.
What is the InChIKey of 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The InChIKey is SGYYWMPVGXOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)15-4-3-5-16(10-15)20(8-9-21)12-17-11-18(19-22-17)14-6-7-14/h3-5,10-11,13-14,21H,6-9,12H2,1-2H3.
What are the key properties of 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol has a molecular weight of 300.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol is sourced from PubChem (CID 166243021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).