N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide

C22H22FN3O2 — CID 55812679

IUPACN-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(c1ccccn1)N(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C1CC1
InChIInChI=1S/C22H22FN3O2/c1-15(19-4-2-3-13-24-19)26(18-9-10-18)22(27)12-11-21-25-14-20(28-21)16-5-7-17(23)8-6-16/h2-8,13-15,18H,9-12H2,1H3
InChIKeyFIRAMCPILBPYGS-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.56
Rot. Bonds7

About N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide

N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 55812679) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID55812679
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(c1ccccn1)N(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C1CC1
InChIInChI=1S/C22H22FN3O2/c1-15(19-4-2-3-13-24-19)26(18-9-10-18)22(27)12-11-21-25-14-20(28-21)16-5-7-17(23)8-6-16/h2-8,13-15,18H,9-12H2,1H3
InChIKeyFIRAMCPILBPYGS-UHFFFAOYSA-N
XLogP4.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 51929356
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
N-cyclopropyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 51314852
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
CID 100633701
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35437793
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide (CID 55812679) is N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide is CC(c1ccccn1)N(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is FIRAMCPILBPYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(19-4-2-3-13-24-19)26(18-9-10-18)22(27)12-11-21-25-14-20(28-21)16-5-7-17(23)8-6-16/h2-8,13-15,18H,9-12H2,1H3.
What are the key properties of N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide?
N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 55812679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).