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

C15H21N3O — CID 55140241

IUPACN-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCN(C)C3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-10(2)15-17-13-8-11(4-5-14(13)19-15)16-12-6-7-18(3)9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyQYSDIKFNSDIUKU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.07
Rot. Bonds3

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

N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine (PubChem CID 55140241) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
PubChem CID55140241
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NC3CCN(C)C3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-10(2)15-17-13-8-11(4-5-14(13)19-15)16-12-6-7-18(3)9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3
InChIKeyQYSDIKFNSDIUKU-UHFFFAOYSA-N
XLogP3.07
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine (CID 55140241) is N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NC3CCN(C)C3)ccc2o1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
The InChIKey is QYSDIKFNSDIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)15-17-13-8-11(4-5-14(13)19-15)16-12-6-7-18(3)9-12/h4-5,8,10,12,16H,6-7,9H2,1-3H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine?
N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 55140241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).