N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C14H16FN5O2 — CID 91814077

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccno1
InChIInChI=1S/C14H16FN5O2/c15-11-8-17-14(18-9-11)20-5-2-10(3-6-20)7-16-13(21)12-1-4-19-22-12/h1,4,8-10H,2-3,5-7H2,(H,16,21)
InChIKeyKFDSJOXZEXUPKZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.25
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 91814077) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID91814077
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccno1
InChIInChI=1S/C14H16FN5O2/c15-11-8-17-14(18-9-11)20-5-2-10(3-6-20)7-16-13(21)12-1-4-19-22-12/h1,4,8-10H,2-3,5-7H2,(H,16,21)
InChIKeyKFDSJOXZEXUPKZ-UHFFFAOYSA-N
XLogP1.25
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 91814077) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1ccno1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KFDSJOXZEXUPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-11-8-17-14(18-9-11)20-5-2-10(3-6-20)7-16-13(21)12-1-4-19-22-12/h1,4,8-10H,2-3,5-7H2,(H,16,21).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91814077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).