3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

C22H23FN4O2 — CID 38530556

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)19-15-26-22(29-19)10-9-21(28)25-14-16-7-8-20(24-13-16)27-11-3-4-12-27/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,25,28)
InChIKeyYIIQPKQNYQYESI-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.72
Rot. Bonds7

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 38530556) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID38530556
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)19-15-26-22(29-19)10-9-21(28)25-14-16-7-8-20(24-13-16)27-11-3-4-12-27/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,25,28)
InChIKeyYIIQPKQNYQYESI-UHFFFAOYSA-N
XLogP3.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 38740723
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129
2-(2-fluorophenyl)sulfanyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745356
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38938009
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (CID 38530556) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is YIIQPKQNYQYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-6-2-1-5-17(18)19-15-26-22(29-19)10-9-21(28)25-14-16-7-8-20(24-13-16)27-11-3-4-12-27/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,25,28).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 394.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 38530556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).