N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

C15H22N2O — CID 43745087

IUPACN-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)CCNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C15H22N2O/c1-10(2)7-8-16-12-5-6-14-13(9-12)17-15(18-14)11(3)4/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeySMLZVDOKIMGRJE-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.41
Rot. Bonds5

About N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine

N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 43745087) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID43745087
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)CCNc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C15H22N2O/c1-10(2)7-8-16-12-5-6-14-13(9-12)17-15(18-14)11(3)4/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeySMLZVDOKIMGRJE-UHFFFAOYSA-N
XLogP4.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
N-octan-2-yl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745099
N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 62350283
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
N-[(3-methylimidazol-4-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 66118117
N-[(2-ethylpyrazol-3-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 115762013
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
N-[1-(1-methylcyclopropyl)ethyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745097
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 43745087) is N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)CCNc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is SMLZVDOKIMGRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)7-8-16-12-5-6-14-13(9-12)17-15(18-14)11(3)4/h5-6,9-11,16H,7-8H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 246.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43745087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).