2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine

C13H18N2O2 — CID 114764980

IUPAC2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2c(OC)cccc2o1
InChIInChI=1S/C13H18N2O2/c1-4-8-13(2,14)12-15-11-9(16-3)6-5-7-10(11)17-12/h5-7H,4,8,14H2,1-3H3
InChIKeyPRMGTVJSXWXOHK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.81
Rot. Bonds4

About 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine

2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine (PubChem CID 114764980) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine
PubChem CID114764980
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine
SMILESCCCC(C)(N)c1nc2c(OC)cccc2o1
InChIInChI=1S/C13H18N2O2/c1-4-8-13(2,14)12-15-11-9(16-3)6-5-7-10(11)17-12/h5-7H,4,8,14H2,1-3H3
InChIKeyPRMGTVJSXWXOHK-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 114764916
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
2-ethyl-2-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]butanoic acid
CID 114764820
[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 114764869
7-bromo-2-ethyl-4-methoxy-1,3-benzoxazole;2-ethyl-4-methoxy-1,3-benzoxazole
CID 159907783
3-(4-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 114764850
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177
2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
CID 106978073

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine?
The IUPAC name of 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine (CID 114764980) is 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine.
What is the SMILES notation for 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine?
The canonical SMILES for 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine is CCCC(C)(N)c1nc2c(OC)cccc2o1.
What is the InChIKey of 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine?
The InChIKey is PRMGTVJSXWXOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-8-13(2,14)12-15-11-9(16-3)6-5-7-10(11)17-12/h5-7H,4,8,14H2,1-3H3.
What are the key properties of 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine?
2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine has a molecular weight of 234.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine is sourced from PubChem (CID 114764980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).