3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol

C11H14N2O2 — CID 61230082

IUPAC3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCc1cccc2oc(C(N)CCO)nc12
InChIInChI=1S/C11H14N2O2/c1-7-3-2-4-9-10(7)13-11(15-9)8(12)5-6-14/h2-4,8,14H,5-6,12H2,1H3
InChIKeyZMVCRYDBULNQJA-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol

3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol (PubChem CID 61230082) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
PubChem CID61230082
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCc1cccc2oc(C(N)CCO)nc12
InChIInChI=1S/C11H14N2O2/c1-7-3-2-4-9-10(7)13-11(15-9)8(12)5-6-14/h2-4,8,14H,5-6,12H2,1H3
InChIKeyZMVCRYDBULNQJA-UHFFFAOYSA-N
XLogP1.52
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol (CID 61230082) is 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol is Cc1cccc2oc(C(N)CCO)nc12.
What is the InChIKey of 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol?
The InChIKey is ZMVCRYDBULNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-2-4-9-10(7)13-11(15-9)8(12)5-6-14/h2-4,8,14H,5-6,12H2,1H3.
What are the key properties of 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol?
3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol has a molecular weight of 206.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methyl-1,3-benzoxazol-2-yl)propan-1-ol is sourced from PubChem (CID 61230082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).