4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

C13H21FN2O — CID 172882600

IUPAC4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC(CF)CC1
InChIInChI=1S/C13H21FN2O/c1-10(2)13-12(15-9-17-13)8-16-5-3-11(7-14)4-6-16/h9-11H,3-8H2,1-2H3
InChIKeyPADHNPABDUGRTN-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.98
Rot. Bonds4

About 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 172882600) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
PubChem CID172882600
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN1CCC(CF)CC1
InChIInChI=1S/C13H21FN2O/c1-10(2)13-12(15-9-17-13)8-16-5-3-11(7-14)4-6-16/h9-11H,3-8H2,1-2H3
InChIKeyPADHNPABDUGRTN-UHFFFAOYSA-N
XLogP2.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (CID 172882600) is 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CN1CCC(CF)CC1.
What is the InChIKey of 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is PADHNPABDUGRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(2)13-12(15-9-17-13)8-16-5-3-11(7-14)4-6-16/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 240.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 172882600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).