[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone

C14H16F2N4O2 — CID 167773102

IUPAC[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCC1=NOC(C(=O)N2CCN(c3c(F)cncc3F)CC2)C1
InChIInChI=1S/C14H16F2N4O2/c1-9-6-12(22-18-9)14(21)20-4-2-19(3-5-20)13-10(15)7-17-8-11(13)16/h7-8,12H,2-6H2,1H3
InChIKeyVGEUIHPOGMPIQU-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.17
Rot. Bonds2

About [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone

[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 167773102) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID167773102
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCC1=NOC(C(=O)N2CCN(c3c(F)cncc3F)CC2)C1
InChIInChI=1S/C14H16F2N4O2/c1-9-6-12(22-18-9)14(21)20-4-2-19(3-5-20)13-10(15)7-17-8-11(13)16/h7-8,12H,2-6H2,1H3
InChIKeyVGEUIHPOGMPIQU-UHFFFAOYSA-N
XLogP1.17
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 132374301
CID 132374301
CID 167831592
CID 167831592
CID 109910189
CID 109910189
CID 124209373
CID 124209373
CID 125519663
CID 125519663
CID 125519664
CID 125519664
CID 131948105
CID 131948105

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 167773102) is [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is CC1=NOC(C(=O)N2CCN(c3c(F)cncc3F)CC2)C1.
What is the InChIKey of [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is VGEUIHPOGMPIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-9-6-12(22-18-9)14(21)20-4-2-19(3-5-20)13-10(15)7-17-8-11(13)16/h7-8,12H,2-6H2,1H3.
What are the key properties of [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 310.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 167773102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).