1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane

C11H19N2OP — CID 143811967

IUPAC1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane
SMILESCPC.NC1(c2coc(C3CC3)n2)CC1
InChIInChI=1S/C9H12N2O.C2H7P/c10-9(3-4-9)7-5-12-8(11-7)6-1-2-6;1-3-2/h5-6H,1-4,10H2;3H,1-2H3
InChIKeyDOLSPGBNSCBYNS-UHFFFAOYSA-N
MW226.26 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane

1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane (PubChem CID 143811967) has the molecular formula C11H19N2OP and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane
PubChem CID143811967
Molecular FormulaC11H19N2OP
Molecular Weight226.26 g/mol
Exact Mass226.12
IUPAC Name1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane
SMILESCPC.NC1(c2coc(C3CC3)n2)CC1
InChIInChI=1S/C9H12N2O.C2H7P/c10-9(3-4-9)7-5-12-8(11-7)6-1-2-6;1-3-2/h5-6H,1-4,10H2;3H,1-2H3
InChIKeyDOLSPGBNSCBYNS-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane?
The IUPAC name of 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane (CID 143811967) is 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane?
The canonical SMILES for 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane is CPC.NC1(c2coc(C3CC3)n2)CC1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane?
The InChIKey is DOLSPGBNSCBYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H7P/c10-9(3-4-9)7-5-12-8(11-7)6-1-2-6;1-3-2/h5-6H,1-4,10H2;3H,1-2H3.
What are the key properties of 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane?
1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane has a molecular weight of 226.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-oxazol-4-yl)cyclopropan-1-amine;dimethylphosphane is sourced from PubChem (CID 143811967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).