3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride

C18H24Cl2FN3O2 — CID 119535420

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2F)o1)NCCC1CCNC1
InChIInChI=1S/C18H22FN3O2.2ClH/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-10-8-13-7-9-20-11-13;;/h1-4,12-13,20H,5-11H2,(H,21,23);2*1H
InChIKeyXMGKKDPGLRZXRD-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.37
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride (PubChem CID 119535420) has the molecular formula C18H24Cl2FN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
PubChem CID119535420
Molecular FormulaC18H24Cl2FN3O2
Molecular Weight404.31 g/mol
Exact Mass403.12
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
SMILESCl.Cl.O=C(CCc1ncc(-c2ccccc2F)o1)NCCC1CCNC1
InChIInChI=1S/C18H22FN3O2.2ClH/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-10-8-13-7-9-20-11-13;;/h1-4,12-13,20H,5-11H2,(H,21,23);2*1H
InChIKeyXMGKKDPGLRZXRD-UHFFFAOYSA-N
XLogP3.37
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556102
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451500
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
N-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86921699

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride (CID 119535420) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride is Cl.Cl.O=C(CCc1ncc(-c2ccccc2F)o1)NCCC1CCNC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
The InChIKey is XMGKKDPGLRZXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2.2ClH/c19-15-4-2-1-3-14(15)16-12-22-18(24-16)6-5-17(23)21-10-8-13-7-9-20-11-13;;/h1-4,12-13,20H,5-11H2,(H,21,23);2*1H.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride has a molecular weight of 404.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 119535420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).