(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C19H26FN3O2 — CID 97073405

IUPAC(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@H]2CCN(CCCOc3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H26FN3O2/c1-15-12-21-19(25-15)14-22(2)17-8-10-23(13-17)9-3-11-24-18-6-4-16(20)5-7-18/h4-7,12,17H,3,8-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyIIXNYMICELHNMW-KRWDZBQOSA-N
MW347.43 g/mol
LogP3.10
Rot. Bonds8

About (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 97073405) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID97073405
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)[C@H]2CCN(CCCOc3ccc(F)cc3)C2)o1
InChIInChI=1S/C19H26FN3O2/c1-15-12-21-19(25-15)14-22(2)17-8-10-23(13-17)9-3-11-24-18-6-4-16(20)5-7-18/h4-7,12,17H,3,8-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyIIXNYMICELHNMW-KRWDZBQOSA-N
XLogP3.10
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 97073405) is (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CN(C)[C@H]2CCN(CCCOc3ccc(F)cc3)C2)o1.
What is the InChIKey of (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is IIXNYMICELHNMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-15-12-21-19(25-15)14-22(2)17-8-10-23(13-17)9-3-11-24-18-6-4-16(20)5-7-18/h4-7,12,17H,3,8-11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 347.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97073405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).