1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine

C11H17N3O — CID 81170847

IUPAC1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
SMILESc1cc(CNC2CCN(C3CC3)C2)no1
InChIInChI=1S/C11H17N3O/c1-2-11(1)14-5-3-10(8-14)12-7-9-4-6-15-13-9/h4,6,10-12H,1-3,5,7-8H2
InChIKeyFMLZETDPYNOQBW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds4

About 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine

1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 81170847) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
PubChem CID81170847
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine
SMILESc1cc(CNC2CCN(C3CC3)C2)no1
InChIInChI=1S/C11H17N3O/c1-2-11(1)14-5-3-10(8-14)12-7-9-4-6-15-13-9/h4,6,10-12H,1-3,5,7-8H2
InChIKeyFMLZETDPYNOQBW-UHFFFAOYSA-N
XLogP1.00
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine (CID 81170847) is 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine is c1cc(CNC2CCN(C3CC3)C2)no1.
What is the InChIKey of 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is FMLZETDPYNOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-11(1)14-5-3-10(8-14)12-7-9-4-6-15-13-9/h4,6,10-12H,1-3,5,7-8H2.
What are the key properties of 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 81170847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).