4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one

C22H24FN3O2 — CID 3078362

IUPAC4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
SMILESCc1cccc(N2CCN(CCc3oc(=O)[nH]c3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H24FN3O2/c1-16-3-2-4-19(15-16)26-13-11-25(12-14-26)10-9-20-21(24-22(27)28-20)17-5-7-18(23)8-6-17/h2-8,15H,9-14H2,1H3,(H,24,27)
InChIKeyMQKGNQOZLZEXDJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.45
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one

4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one (PubChem CID 3078362) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
PubChem CID3078362
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
SMILESCc1cccc(N2CCN(CCc3oc(=O)[nH]c3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H24FN3O2/c1-16-3-2-4-19(15-16)26-13-11-25(12-14-26)10-9-20-21(24-22(27)28-20)17-5-7-18(23)8-6-17/h2-8,15H,9-14H2,1H3,(H,24,27)
InChIKeyMQKGNQOZLZEXDJ-UHFFFAOYSA-N
XLogP3.45
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one (CID 3078362) is 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one is Cc1cccc(N2CCN(CCc3oc(=O)[nH]c3-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one?
The InChIKey is MQKGNQOZLZEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-3-2-4-19(15-16)26-13-11-25(12-14-26)10-9-20-21(24-22(27)28-20)17-5-7-18(23)8-6-17/h2-8,15H,9-14H2,1H3,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one?
4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one has a molecular weight of 381.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 3078362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).