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

C15H19N3O — CID 133347923

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC1CC(Nc2nc3ccccc3o2)CN1C1CC1
InChIInChI=1S/C15H19N3O/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17)
InChIKeyPZAYFZVRTFQOGL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds3

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

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 133347923) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID133347923
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
SMILESCC1CC(Nc2nc3ccccc3o2)CN1C1CC1
InChIInChI=1S/C15H19N3O/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17)
InChIKeyPZAYFZVRTFQOGL-UHFFFAOYSA-N
XLogP2.86
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine (CID 133347923) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine is CC1CC(Nc2nc3ccccc3o2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is PZAYFZVRTFQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-11(9-18(10)12-6-7-12)16-15-17-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3,(H,16,17).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133347923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).