3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol

C14H20N2O2 — CID 61229902

IUPAC3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCC(C)(C)c1ccc2oc(C(N)CCO)nc2c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)9-4-5-12-11(8-9)16-13(18-12)10(15)6-7-17/h4-5,8,10,17H,6-7,15H2,1-3H3
InChIKeyGBFRSZXJQVGWQB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol

3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol (PubChem CID 61229902) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol
PubChem CID61229902
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCC(C)(C)c1ccc2oc(C(N)CCO)nc2c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)9-4-5-12-11(8-9)16-13(18-12)10(15)6-7-17/h4-5,8,10,17H,6-7,15H2,1-3H3
InChIKeyGBFRSZXJQVGWQB-UHFFFAOYSA-N
XLogP2.51
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol (CID 61229902) is 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol is CC(C)(C)c1ccc2oc(C(N)CCO)nc2c1.
What is the InChIKey of 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol?
The InChIKey is GBFRSZXJQVGWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)9-4-5-12-11(8-9)16-13(18-12)10(15)6-7-17/h4-5,8,10,17H,6-7,15H2,1-3H3.
What are the key properties of 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol?
3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-tert-butyl-1,3-benzoxazol-2-yl)propan-1-ol is sourced from PubChem (CID 61229902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).