N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine

C13H16N2O — CID 103703598

IUPACN-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)(Nc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H16N2O/c1-13(2,9-7-8-9)15-12-14-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyAIMMLAWGDWFMER-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.43
Rot. Bonds3

About N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine

N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 103703598) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
PubChem CID103703598
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
SMILESCC(C)(Nc1nc2ccccc2o1)C1CC1
InChIInChI=1S/C13H16N2O/c1-13(2,9-7-8-9)15-12-14-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyAIMMLAWGDWFMER-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1,3-benzoxazol-2-yl)-2-cyclopropylpropane-1,2-diamine
CID 113283613
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
2-(1,3-benzoxazol-2-ylamino)-2-ethylpropane-1,3-diol
CID 113252094
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-propyl-1,3-benzoxazol-2-amine
CID 584386
2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
CID 113283917
N-[[4-(aminomethyl)cyclohexyl]methyl]-1,3-benzoxazol-2-amine
CID 70938203
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine (CID 103703598) is N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine is CC(C)(Nc1nc2ccccc2o1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is AIMMLAWGDWFMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,9-7-8-9)15-12-14-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine?
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 216.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 103703598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).