4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole

C16H21FN4O — CID 163350135

IUPAC4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3ccncc3F)C(C)C2)co1
InChIInChI=1S/C16H21FN4O/c1-12-8-20(10-15-11-22-13(2)19-15)5-6-21(12)9-14-3-4-18-7-16(14)17/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyIIVALVSMTFPMSC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.22
Rot. Bonds4

About 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 163350135) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID163350135
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3ccncc3F)C(C)C2)co1
InChIInChI=1S/C16H21FN4O/c1-12-8-20(10-15-11-22-13(2)19-15)5-6-21(12)9-14-3-4-18-7-16(14)17/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyIIVALVSMTFPMSC-UHFFFAOYSA-N
XLogP2.22
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 163350135) is 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCN(Cc3ccncc3F)C(C)C2)co1.
What is the InChIKey of 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is IIVALVSMTFPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-12-8-20(10-15-11-22-13(2)19-15)5-6-21(12)9-14-3-4-18-7-16(14)17/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 304.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 163350135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).