(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C21H24FN3O3 — CID 53168370

IUPAC(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H24FN3O3/c1-14-18(21(27)24-10-4-5-11-24)23-19(28-14)15-8-12-25(13-9-15)20(26)16-6-2-3-7-17(16)22/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyDHJJAVAEOYPCES-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.38
Rot. Bonds3

About (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 53168370) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID53168370
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1oc(C2CCN(C(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H24FN3O3/c1-14-18(21(27)24-10-4-5-11-24)23-19(28-14)15-8-12-25(13-9-15)20(26)16-6-2-3-7-17(16)22/h2-3,6-7,15H,4-5,8-13H2,1H3
InChIKeyDHJJAVAEOYPCES-UHFFFAOYSA-N
XLogP3.38
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 53168370) is (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1oc(C2CCN(C(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DHJJAVAEOYPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-14-18(21(27)24-10-4-5-11-24)23-19(28-14)15-8-12-25(13-9-15)20(26)16-6-2-3-7-17(16)22/h2-3,6-7,15H,4-5,8-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53168370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).