3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide

C16H18FN3O2 — CID 119451502

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC1CCNC1
InChIInChI=1S/C16H18FN3O2/c17-13-4-2-1-3-12(13)14-10-19-16(22-14)6-5-15(21)20-11-7-8-18-9-11/h1-4,10-11,18H,5-9H2,(H,20,21)
InChIKeyRNQBWHZMUQIPSN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.89
Rot. Bonds5

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide (PubChem CID 119451502) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
PubChem CID119451502
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NC1CCNC1
InChIInChI=1S/C16H18FN3O2/c17-13-4-2-1-3-12(13)14-10-19-16(22-14)6-5-15(21)20-11-7-8-18-9-11/h1-4,10-11,18H,5-9H2,(H,20,21)
InChIKeyRNQBWHZMUQIPSN-UHFFFAOYSA-N
XLogP1.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
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
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535420
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-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
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-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
CID 60616967
N-[(1R,2S,3R)-3-ethoxy-2-methoxycyclobutyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 97307752
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 124845495

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide (CID 119451502) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NC1CCNC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is RNQBWHZMUQIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-13-4-2-1-3-12(13)14-10-19-16(22-14)6-5-15(21)20-11-7-8-18-9-11/h1-4,10-11,18H,5-9H2,(H,20,21).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 303.34 g/mol, XLogP of 1.89, 5 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-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119451502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).