N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H24FN5O2 — CID 131938393

IUPACN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1ncnc(N2CCCC(CNC(=O)c3c(C)noc3C)C2)c1F
InChIInChI=1S/C18H24FN5O2/c1-4-14-16(19)17(22-10-21-14)24-7-5-6-13(9-24)8-20-18(25)15-11(2)23-26-12(15)3/h10,13H,4-9H2,1-3H3,(H,20,25)
InChIKeyGIKCYJBNFYKPGJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.43
Rot. Bonds5

About N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 131938393) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID131938393
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1ncnc(N2CCCC(CNC(=O)c3c(C)noc3C)C2)c1F
InChIInChI=1S/C18H24FN5O2/c1-4-14-16(19)17(22-10-21-14)24-7-5-6-13(9-24)8-20-18(25)15-11(2)23-26-12(15)3/h10,13H,4-9H2,1-3H3,(H,20,25)
InChIKeyGIKCYJBNFYKPGJ-UHFFFAOYSA-N
XLogP2.43
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 131938393) is N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCc1ncnc(N2CCCC(CNC(=O)c3c(C)noc3C)C2)c1F.
What is the InChIKey of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GIKCYJBNFYKPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-4-14-16(19)17(22-10-21-14)24-7-5-6-13(9-24)8-20-18(25)15-11(2)23-26-12(15)3/h10,13H,4-9H2,1-3H3,(H,20,25).
What are the key properties of N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131938393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).