4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole

C18H21F2N3O — CID 136517268

IUPAC4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole
SMILESFc1cccc(F)c1-c1nc(CN2CCN(CC3CC3)CC2)co1
InChIInChI=1S/C18H21F2N3O/c19-15-2-1-3-16(20)17(15)18-21-14(12-24-18)11-23-8-6-22(7-9-23)10-13-4-5-13/h1-3,12-13H,4-11H2
InChIKeyLSWAYLDSPVKAGC-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.15
Rot. Bonds5

About 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole (PubChem CID 136517268) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole
PubChem CID136517268
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole
SMILESFc1cccc(F)c1-c1nc(CN2CCN(CC3CC3)CC2)co1
InChIInChI=1S/C18H21F2N3O/c19-15-2-1-3-16(20)17(15)18-21-14(12-24-18)11-23-8-6-22(7-9-23)10-13-4-5-13/h1-3,12-13H,4-11H2
InChIKeyLSWAYLDSPVKAGC-UHFFFAOYSA-N
XLogP3.15
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole (CID 136517268) is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole is Fc1cccc(F)c1-c1nc(CN2CCN(CC3CC3)CC2)co1.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole?
The InChIKey is LSWAYLDSPVKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c19-15-2-1-3-16(20)17(15)18-21-14(12-24-18)11-23-8-6-22(7-9-23)10-13-4-5-13/h1-3,12-13H,4-11H2.
What are the key properties of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole?
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole has a molecular weight of 333.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(2,6-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 136517268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).