(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

C12H16N2O2 — CID 83859186

IUPAC(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2oc([C@@H](N)C(C)C)nc2c1
InChIInChI=1S/C12H16N2O2/c1-7(2)11(13)12-14-9-6-8(15-3)4-5-10(9)16-12/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyKBHXAWDNSDWYPR-NSHDSACASA-N
MW220.27 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 83859186) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID83859186
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2oc([C@@H](N)C(C)C)nc2c1
InChIInChI=1S/C12H16N2O2/c1-7(2)11(13)12-14-9-6-8(15-3)4-5-10(9)16-12/h4-7,11H,13H2,1-3H3/t11-/m0/s1
InChIKeyKBHXAWDNSDWYPR-NSHDSACASA-N
XLogP2.49
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
3-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4,4-dimethylpentan-1-amine
CID 102697004
4,6-dibromo-3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylaniline
CID 17274141
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
CID 102696285
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 102696662
3-[amino-(5-methoxy-1,3-benzoxazol-2-yl)amino]propanenitrile
CID 13373812

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 83859186) is (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is COc1ccc2oc([C@@H](N)C(C)C)nc2c1.
What is the InChIKey of (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is KBHXAWDNSDWYPR-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)11(13)12-14-9-6-8(15-3)4-5-10(9)16-12/h4-7,11H,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).