N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine

C19H25N3O — CID 86923328

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1
InChIInChI=1S/C19H25N3O/c1-13(2)15-5-3-14(4-6-15)11-22(17-9-10-17)12-18-20-19(21-23-18)16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyUKFQKKZKWUTCDB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine (PubChem CID 86923328) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
PubChem CID86923328
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
SMILESCC(C)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1
InChIInChI=1S/C19H25N3O/c1-13(2)15-5-3-14(4-6-15)11-22(17-9-10-17)12-18-20-19(21-23-18)16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyUKFQKKZKWUTCDB-UHFFFAOYSA-N
XLogP4.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine (CID 86923328) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine is CC(C)c1ccc(CN(Cc2nc(C3CC3)no2)C2CC2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
The InChIKey is UKFQKKZKWUTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)15-5-3-14(4-6-15)11-22(17-9-10-17)12-18-20-19(21-23-18)16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine has a molecular weight of 311.43 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 86923328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).