4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole

C20H26FN3O — CID 73387192

IUPAC4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2
InChIKeyNMNZDMJXQZHSOH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.93
Rot. Bonds4

About 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole

4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole (PubChem CID 73387192) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
PubChem CID73387192
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2
InChIKeyNMNZDMJXQZHSOH-UHFFFAOYSA-N
XLogP3.93
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diphenyloxazole
CID 168750
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole (CID 73387192) is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole is Fc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1.
What is the InChIKey of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The InChIKey is NMNZDMJXQZHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2.
What are the key properties of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole has a molecular weight of 343.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 73387192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).