2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine

C11H14N2O2 — CID 103020647

IUPAC2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
SMILESCOC(C)(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H14N2O2/c1-11(2,14-3)10-13-8-5-4-7(12)6-9(8)15-10/h4-6H,12H2,1-3H3
InChIKeyRPNFVUWYNDYHPC-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.29
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine

2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine (PubChem CID 103020647) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
PubChem CID103020647
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine
SMILESCOC(C)(C)c1nc2ccc(N)cc2o1
InChIInChI=1S/C11H14N2O2/c1-11(2,14-3)10-13-8-5-4-7(12)6-9(8)15-10/h4-6H,12H2,1-3H3
InChIKeyRPNFVUWYNDYHPC-UHFFFAOYSA-N
XLogP2.29
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
2-N-(2-methyl-2-methylsulfonylpropyl)-1,3-benzoxazole-2,6-diamine
CID 79893031
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)amino]-3-methylbutanoate
CID 79892913
methyl 2-[(6-amino-1,3-benzoxazol-2-yl)methylsulfanyl]acetate
CID 79999281
2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79893362
2-N-(3-methylbut-2-enyl)-1,3-benzoxazole-2,6-diamine
CID 106182241
2-N-(cyclohexylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891086
2-N-(3-propoxypropyl)-1,3-benzoxazole-2,6-diamine
CID 82941930
(7-amino-2-methoxyphenoxazin-3-ylidene)azanium
CID 94005720

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine (CID 103020647) is 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine is COC(C)(C)c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine?
The InChIKey is RPNFVUWYNDYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,14-3)10-13-8-5-4-7(12)6-9(8)15-10/h4-6H,12H2,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine?
2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine has a molecular weight of 206.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 103020647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).