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

C12H16N2O2 — CID 116836117

IUPAC2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
SMILESCc1nc2cc(C(O)C(C)(C)N)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-7-14-9-6-8(4-5-10(9)16-7)11(15)12(2,3)13/h4-6,11,15H,13H2,1-3H3
InChIKeyOTEMNZUEWRWBCF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.91
Rot. Bonds2

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

2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol (PubChem CID 116836117) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
PubChem CID116836117
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol
SMILESCc1nc2cc(C(O)C(C)(C)N)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-7-14-9-6-8(4-5-10(9)16-7)11(15)12(2,3)13/h4-6,11,15H,13H2,1-3H3
InChIKeyOTEMNZUEWRWBCF-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676
amino-(2-methyl-1,3-benzoxazol-5-yl)methanethiol
CID 116939524
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
hydrazinyl-(2-methyl-1,3-benzoxazol-5-yl)methanamine
CID 116947497
1-(2-methyl-1,3-benzoxazol-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820110
2,3-dihydroxy-3-(2-methyl-1,3-benzoxazol-5-yl)propanenitrile
CID 171870464
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
3,4-dihydroxy-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 171877909
2,2,2-trifluoro-N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 116914379
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
4-[amino-(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclohexan-1-ol
CID 116941871

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol (CID 116836117) is 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol is Cc1nc2cc(C(O)C(C)(C)N)ccc2o1.
What is the InChIKey of 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol?
The InChIKey is OTEMNZUEWRWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-14-9-6-8(4-5-10(9)16-7)11(15)12(2,3)13/h4-6,11,15H,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol?
2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)propan-1-ol is sourced from PubChem (CID 116836117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).