N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C23H30FN3O2 — CID 95733913

IUPACN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C23H30FN3O2/c24-18-9-7-17(8-10-18)21-15-25-23(29-21)12-11-22(28)26-19-13-14-27(16-19)20-5-3-1-2-4-6-20/h7-10,15,19-20H,1-6,11-14,16H2,(H,26,28)/t19-/m1/s1
InChIKeyNSELMXPFACHQGY-LJQANCHMSA-N
MW399.51 g/mol
LogP4.33
Rot. Bonds6

About N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 95733913) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID95733913
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC NameN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C23H30FN3O2/c24-18-9-7-17(8-10-18)21-15-25-23(29-21)12-11-22(28)26-19-13-14-27(16-19)20-5-3-1-2-4-6-20/h7-10,15,19-20H,1-6,11-14,16H2,(H,26,28)/t19-/m1/s1
InChIKeyNSELMXPFACHQGY-LJQANCHMSA-N
XLogP4.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide 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

N-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86921699
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
CID 55951696
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146
1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-3-carboxylic acid
CID 119136265
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 41353029
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86965315

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 95733913) is N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is NSELMXPFACHQGY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30FN3O2/c24-18-9-7-17(8-10-18)21-15-25-23(29-21)12-11-22(28)26-19-13-14-27(16-19)20-5-3-1-2-4-6-20/h7-10,15,19-20H,1-6,11-14,16H2,(H,26,28)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 399.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 95733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).