1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine

C11H19N3O — CID 112546553

IUPAC1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)c1cc(C2CC(N)CN2C)no1
InChIInChI=1S/C11H19N3O/c1-7(2)11-5-9(13-15-11)10-4-8(12)6-14(10)3/h5,7-8,10H,4,6,12H2,1-3H3
InChIKeyDSBFTIMFKHAYFU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds2

About 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine

1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine (PubChem CID 112546553) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine
PubChem CID112546553
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)c1cc(C2CC(N)CN2C)no1
InChIInChI=1S/C11H19N3O/c1-7(2)11-5-9(13-15-11)10-4-8(12)6-14(10)3/h5,7-8,10H,4,6,12H2,1-3H3
InChIKeyDSBFTIMFKHAYFU-UHFFFAOYSA-N
XLogP1.50
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine (CID 112546553) is 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine is CC(C)c1cc(C2CC(N)CN2C)no1.
What is the InChIKey of 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine?
The InChIKey is DSBFTIMFKHAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)11-5-9(13-15-11)10-4-8(12)6-14(10)3/h5,7-8,10H,4,6,12H2,1-3H3.
What are the key properties of 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine?
1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 112546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).