1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine

C15H18FN3O2 — CID 107700711

IUPAC1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCc1noc(C2CC2)n1
InChIInChI=1S/C15H18FN3O2/c1-9(17)6-11-7-12(16)4-5-13(11)20-8-14-18-15(21-19-14)10-2-3-10/h4-5,7,9-10H,2-3,6,8,17H2,1H3
InChIKeySYWXDDKXHSMCQB-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.55
Rot. Bonds6

About 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine

1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine (PubChem CID 107700711) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
PubChem CID107700711
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1OCc1noc(C2CC2)n1
InChIInChI=1S/C15H18FN3O2/c1-9(17)6-11-7-12(16)4-5-13(11)20-8-14-18-15(21-19-14)10-2-3-10/h4-5,7,9-10H,2-3,6,8,17H2,1H3
InChIKeySYWXDDKXHSMCQB-UHFFFAOYSA-N
XLogP2.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine (CID 107700711) is 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1OCc1noc(C2CC2)n1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The InChIKey is SYWXDDKXHSMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(17)6-11-7-12(16)4-5-13(11)20-8-14-18-15(21-19-14)10-2-3-10/h4-5,7,9-10H,2-3,6,8,17H2,1H3.
What are the key properties of 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine?
1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine has a molecular weight of 291.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107700711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).