2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol

C20H28N2O2 — CID 109397393

IUPAC2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol
SMILESCC(C)(C)c1cnc(CN(Cc2ccccc2)C(CO)C2CC2)o1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)18-11-21-19(24-18)13-22(17(14-23)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,11,16-17,23H,9-10,12-14H2,1-3H3
InChIKeyMWKLIOOMDBSVGM-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.75
Rot. Bonds7

About 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol

2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol (PubChem CID 109397393) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol.

Molecular Properties

Compound Name2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol
PubChem CID109397393
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol
SMILESCC(C)(C)c1cnc(CN(Cc2ccccc2)C(CO)C2CC2)o1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)18-11-21-19(24-18)13-22(17(14-23)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,11,16-17,23H,9-10,12-14H2,1-3H3
InChIKeyMWKLIOOMDBSVGM-UHFFFAOYSA-N
XLogP3.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol?
The IUPAC name of 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol (CID 109397393) is 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol.
What is the SMILES notation for 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol?
The canonical SMILES for 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol is CC(C)(C)c1cnc(CN(Cc2ccccc2)C(CO)C2CC2)o1.
What is the InChIKey of 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol?
The InChIKey is MWKLIOOMDBSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)18-11-21-19(24-18)13-22(17(14-23)16-9-10-16)12-15-7-5-4-6-8-15/h4-8,11,16-17,23H,9-10,12-14H2,1-3H3.
What are the key properties of 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol?
2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol has a molecular weight of 328.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]amino]-2-cyclopropylethanol is sourced from PubChem (CID 109397393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).